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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.

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All sourcesNASA NTRSDOE OSTI
NASA NTRS2021

Scheduling the NASA Deep Space Network with Deep Reinforcement Learning

With three complexes spread evenly across the Earth, NASA’s Deep Space Network (DSN) is the primary means of communications as well as a significant scientific instrument for dozens of active missions around the world. A rapidly rising number of spacecraft and increasingly complex scientific instruments with higher bandwidth requirements have resulted in demand that exceeds the network’s capacity across its 12 antennae. The existing DSN scheduling process operates on a rolling weekly basis and is time-consuming; for a given week, generation of the final baseline schedule of spacecraft tracking passes takes roughly 5 months from the initial requirements submission deadline, with several weeks of peer-to-peer negotiations in between. This paper proposes a deep reinforcement learning (RL) approach to generate candidate DSN schedules from mission requests and spacecraft ephemeris data with demonstrated capability to address real-world operational constraints. A deep RL agent is developed that takes mission requests for a given week as input, and interacts with a DSN scheduling environment to allocate tracks such that its reward signal is maximized. A comparison is made between an agent trained using Proximal Policy Optimization and its random, untrained counterpart. The results represent a proof-of-concept that, given a well-shaped reward signal, a deep RL agent can learn the complex heuristics used by experts to schedule the DSN. A trained agent can potentially be used to generate candidate schedules to bootstrap the scheduling process and thus reduce the turnaround cycle for DSN scheduling.

Wilson, Brian↗
NASA NTRS1991

NMESys: An expert system for network fault detection

The problem of network management is becoming an increasingly difficult and challenging task. It is very common today to find heterogeneous networks consisting of many different types of computers, operating systems, and protocols. The complexity of implementing a network with this many components is difficult enough, while the maintenance of such a network is an even larger problem. A prototype network management expert system, NMESys, implemented in the C Language Integrated Production System (CLIPS). NMESys concentrates on solving some of the critical problems encountered in managing a large network. The major goal of NMESys is to provide a network operator with an expert system tool to quickly and accurately detect hard failures, potential failures, and to minimize or eliminate user down time in a large network.

Nelson, Peter C.↗
DOE OSTI2025

Self-adaptive weights based on balanced residual decay rate for physics-informed neural networks and deep operator networks

Physics-informed deep learning has emerged as a promising alternative for solving partial differential equations. However, for complex problems, training these networks can still be challenging, often resulting in unsatisfactory accuracy and efficiency. In this work, we demonstrate that the failure of plain physics-informed neural networks arises from the significant discrepancy in the convergence rate of residuals at different training points, where the slowest convergence rate dominates the overall solution convergence. Based on these observations, we propose a pointwise adaptive weighting method that balances the residual decay rate across different training points. The performance of our proposed adaptive weighting method is compared with current state-of-the-art adaptive weighting methods on benchmark problems for both physics-informed neural networks and physics-informed deep operator networks. In conclusion, through extensive numerical results we demonstrate that our proposed approach of balanced residual decay rates offers several advantages, including bounded weights, high prediction accuracy, fast convergence rate, low training uncertainty, low computational cost, and ease of hyperparameter tuning.

Balanced convergence rate↗
DOE OSTI2025

Belowground cross-trophic networks impact CH4 and CO2 emissions in degraded alpine peatlands

Belowground organisms forming complex cross-trophic ecological networks are essential for maintaining peatland carbon stability and energy flow. However, how peatland degradation affects the biodiversity and cross-trophic ecological networks of soil communities remains poorly understood. Here, we examined the degradation effects on soil prokaryotes (i.e., bacteria, archaea), fungi and nematodes in alpine peatlands on the eastern Tibetan Plateau, characterized by varying water table depths (indicating degradation levels). We found that peatland degradation, accompanied by significant shifts in soil moisture and pH (P < 0.05), reduced the taxonomic richness and phylogenetic diversity of prokaryotes, fungi, and nematodes, particularly in deeper soil layers (20–50 cm). Crucially, peatland degradation weakened potential cross-trophic interactions within bipartite networks of prokaryotes-nematodes and fungi-nematodes, resulting in less than 6.5 %–28.8 % of unchanged modules. Degradation-induced changes in soil moisture and pH were identified as primary drivers of biodiversity loss and network restructuring. Furthermore, such changes of belowground cross-trophic networks (particularly prokaryote-nematode) were significantly correlated with greenhouse gas emissions, such as decreased CO2 emissions, maintained CH4 emissions (leading to a higher CH4/CO2 ratio in deep layers), and reduced temperature sensitivity (Q10) of soil respiration. These findings underscore the critical need to protect soil biodiversity and cross-trophic networks in peatlands, particularly under the threat of climate change, to preserve peatland carbon stocks and maintain ecosystem stability. Our findings highlight that belowground cross-trophic networks are pivotal to decipher soil carbon dynamics of degraded peatlands and project the fate of peatland carbon stocks under future climate change scenarios.

Cross-trophic networks↗
DOE OSTI2025

Coherency-Constrained Spectral Clustering for Power Network Reduction

This paper presents a methodology for reducing the complexity of large-scale power network models using spectral clustering, aggregation of electrical components, and cost function approximation. Two approaches are explored using unconstrained and constrained spectral clustering to determine areas for effective system reduction. Once the system areas are determined, both loads and generators by type are aggregated, and their new cost function is approximated through polynomial curve-fitting or statistical methods. The performance of reduced networks is evaluated in terms of their ability to follow the true daily cost of the original system over a 24-hour period considering a set of several days. Two test systems are taken as test beds. Application of the methodology to a modified version of the IEEE 39-bus system reduces it from 17 generators to a 4-bus system and 9 generators with about 93% of accuracy. Similarly, the IEEE 118-bus system is reduced from 19 generators to a 3-bus system with three aggregated units achieving over 99% of accuracy. These findings address scalability challenges and enhance accuracy for high and mid-loading level conditions, and by aggregating thermal units with similar cost functions.

42 ENGINEERING↗
NASA NTRS2019

Exploring Network-Related Optimization Problems Using Quantum Heuristics

Network-related connectivity optimization problems are underlying a wide range of applications and are also of high computational complexity. We consider studying network optimization problems using two types of quantum heuristics.One is quantum annealing, and the other Quantum Alternating Operator Ansatz, an extension of the Quantum Approximate Optimization Algorithms for gate-model quantum computation, in which a cost-function based unitary and a non-commuting mixing unitary are applied alternately. We present problem mappings for problems of finding the spanning-tree or spanning-graph of a graph that optimizes certain costs, and a variant that further requires the spanning-tree be degree-bounded. With quantum annealing, all constraints are cast into penalty terms in the cost Hamiltonian, and the solution is encoded as the ground state of the Hamiltonian. We provide three mappings to the quadratic unconstrained binary optimization (QUBO) form, compare the resource requirements, and analyze the tradeoffs. For QAOA, we give special focus on the design of mixers based on the constraints presented in the problem, such that the system evolution remains in a subspace of the full Hilbert space where all constraints are satisfied. In the spanning-tree problem, one such hard constraint is that a mixer applied to a spanning-tree needs also be a spanning tree. This involves checking the connectivity of a subgraph, which is a global condition common for most network-related problems. We show how this feature can be efficiently represented in the mixer in a quantum coherent way, based on manipulation of a descendant-matrix and an adjacent matrix. We further develop a mixer for the spanning-graphs based on the spanning-tree mixer.

Wang, Zhihui↗
NASA NTRS2019

Study network-related optimization problems using quantum alternating optimization ansatz

Network-related connectivity optimization problems are underlying a wide range of applications and are also of high computational complexity. We consider studying network optimization problems using two types of quantum heuristics. One is quantum annealing, and the other Quantum Alternating Operator Ansatz, an extension of the Quantum Approximate Optimization Algorithms for gate-model quantum computation, in which a cost-function based unitary and a non-commuting mixing unitary are applied alternately. We present problem mappings for problems of finding the spanning-tree or spanning-graph of a graph that optimizes certain costs, and a variant that further requires the spanning-tree be degree-bounded. With quantum annealing, all constraints are cast into penalty terms in the cost Hamiltonian, and the solution is encoded as the ground state of the Hamiltonian. We provide three mappings to the quadratic unconstrained binary optimization (QUBO) form, compare the resource requirements, and analyze the tradeoffs. For QAOA, we give special focus on the design of mixers based on the constraints presented in the problem, such that the system evolution remains in a subspace of the full Hilbert space where all constraints are satisfied. In the spanning-tree problem, one such hard constraint is that a mixer applied to a spanning-tree needs also be a spanning tree. This involves checking the connectivity of a subgraph, which is a global condition common for most network-related problems. We show how this feature can be efficiently represented in the mixer in a quantum coherent way, based on manipulation of a descendant-matrix and an adjacent matrix. We further develop a mixer for the spanning-graphs based on the spanning-tree mixer.

Zhihui Wang↗
NASA NTRS1996

Cloud Classification in Polar and Desert Regions and Smoke Classification from Biomass Burning Using a Hierarchical Neural Network

This research focuses on a new neural network scene classification technique. The task is to identify scene elements in Advanced Very High Resolution Radiometry (AVHRR) data from three scene types: polar, desert and smoke from biomass burning in South America (smoke). The ultimate goal of this research is to design and implement a computer system which will identify the clouds present on a whole-Earth satellite view as a means of tracking global climate changes. Previous research has reported results for rule-based systems (Tovinkere et at 1992, 1993) for standard back propagation (Watters et at. 1993) and for a hierarchical approach (Corwin et al 1994) for polar data. This research uses a hierarchical neural network with don't care conditions and applies this technique to complex scenes. A hierarchical neural network consists of a switching network and a collection of leaf networks. The idea of the hierarchical neural network is that it is a simpler task to classify a certain pattern from a subset of patterns than it is to classify a pattern from the entire set. Therefore, the first task is to cluster the classes into groups. The switching, or decision network, performs an initial classification by selecting a leaf network. The leaf networks contain a reduced set of similar classes, and it is in the various leaf networks that the actual classification takes place. The grouping of classes in the various leaf networks is determined by applying an iterative clustering algorithm. Several clustering algorithms were investigated, but due to the size of the data sets, the exhaustive search algorithms were eliminated. A heuristic approach using a confusion matrix from a lightly trained neural network provided the basis for the clustering algorithm. Once the clusters have been identified, the hierarchical network can be trained. The approach of using don't care nodes results from the difficulty in generating extremely complex surfaces in order to separate one class from all of the others. This approach finds pairwise separating surfaces and forms the more complex separating surface from combinations of simpler surfaces. This technique both reduces training time and improves accuracy over the previously reported results. Accuracies of 97.47%, 95.70%, and 99.05% were achieved for the polar, desert and smoke data sets.

Alexander, June↗
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↗
NASA NTRS1993

A programming environment for distributed complex computing. An overview of the Framework for Interdisciplinary Design Optimization (FIDO) project. NASA Langley TOPS exhibit H120b

The Framework for Interdisciplinary Design Optimization (FIDO) is a general programming environment for automating the distribution of complex computing tasks over a networked system of heterogeneous computers. For example, instead of manually passing a complex design problem between its diverse specialty disciplines, the FIDO system provides for automatic interactions between the discipline tasks and facilitates their communications. The FIDO system networks all the computers involved into a distributed heterogeneous computing system, so they have access to centralized data and can work on their parts of the total computation simultaneously in parallel whenever possible. Thus, each computational task can be done by the most appropriate computer. Results can be viewed as they are produced and variables changed manually for steering the process. The software is modular in order to ease migration to new problems: different codes can be substituted for each of the current code modules with little or no effect on the others. The potential for commercial use of FIDO rests in the capability it provides for automatically coordinating diverse computations on a networked system of workstations and computers. For example, FIDO could provide the coordination required for the design of vehicles or electronics or for modeling complex systems.

Townsend, James C.↗
DOE OSTI2025

Sign Problem in Tensor-Network Contraction

We investigate how the computational difficulty of contracting tensor networks depends on the sign structure of the tensor entries. Using results from computational complexity, we observe that the approximate contraction of tensor networks with only positive entries has lower computational complexity as compared to tensor networks with general real or complex entries. This raises the question of how this transition in computational complexity manifests itself in the hardness of different tensor-network-contraction schemes. We pursue this question by studying random tensor networks with varying bias toward positive entries. First, we consider contraction via Monte Carlo sampling and find that the transition from hard to easy occurs when the tensor entries become predominantly positive; this can be understood as a tensor-network manifestation of the well-known negative-sign problem in quantum Monte Carlo. Second, we analyze the commonly used contraction based on boundary tensor networks. The performance of this scheme is governed by the number of correlations in contiguous parts of the tensor network (which by analogy can be thought of as entanglement). Remarkably, we find that the transition from hard to easy—i.e., from a volume-law to a boundary-law scaling of entanglement—already occurs for a slight bias of the tensor entries toward a positive mean, scaling inversely with the bond dimension D , and thus the problem becomes easy the earlier the larger D occurs. This is in contrast both to expectations and to the behavior found in Monte Carlo contraction, where the hardness at fixed bias increases with the bond dimension. To provide insight into this early breakdown of computational hardness and the accompanying entanglement transition, we construct an effective classical statistical-mechanical model that predicts a transition at a bias of the tensor entries of 1 / D , confirming our observations. We conclude by investigating the computational difficulty of computing expectation values of tensor-network wave functions (projected entangled-pair states, PEPSs) and find that in this setting, the complexity of entanglement-based contraction always remains low. We explain this by providing a local transformation that maps PEPS expectation values to a positive-valued tensor network. This not only provides insight into the origin of the observed boundary-law entanglement scaling but also suggests new approaches toward PEPS contraction based on positive decompositions. Published by the American Physical Society 2025

Chen, Jielun (ORCID:0000000178411545)↗
NASA NTRS2004

Scale-Free Networks and Commercial Air Carrier Transportation in the United States

Network science, or the art of describing system structure, may be useful for the analysis and control of large, complex systems. For example, networks exhibiting scale-free structure have been found to be particularly well suited to deal with environmental uncertainty and large demand growth. The National Airspace System may be, at least in part, a scalable network. In fact, the hub-and-spoke structure of the commercial segment of the NAS is an often-cited example of an existing scale-free network After reviewing the nature and attributes of scale-free networks, this assertion is put to the test: is commercial air carrier transportation in the United States well explained by this model? If so, are the positive attributes of these networks, e.g. those of efficiency, flexibility and robustness, fully realized, or could we effect substantial improvement? This paper first outlines attributes of various network types, then looks more closely at the common carrier air transportation network from perspectives of the traveler, the airlines, and Air Traffic Control (ATC). Network models are applied within each paradigm, including discussion of implied strengths and weaknesses of each model. Finally, known limitations of scalable networks are discussed. With an eye towards NAS operations, utilizing the strengths and avoiding the weaknesses of scale-free networks are addressed.

Conway, Sheila R.↗
DOE OSTI2025

Blue Keanu: A Scientific Visualization Tool For Network Data

This software allows the user to visualize complex PCAP-ng files captured from network capture software such as Wireshark. The visualization runs in a GUI window that can be zoomed or moved to areas of interest in a waterfall type display. The user then can see an area of interest that looks different than the typical traffic visually, such as a human interaction or non-repetitive area of data. The program will tell the user the packet number and byte offset of interest for fast analysis of discrete atomic or non-random events. This is particularly useful for visualization of unknown binary format data, such as in PLC or SCADA protocols that may have human or other non-repetitive activity for further analysis, reverse engineering, or fast forensic analysis.

Durller, MichaelGeorge↗
DOE OSTI2025

Data-Driven Kinetic Reaction Networks for Separation Chemistry

Understanding complex, multistep chemical reactions at the molecular level is a major challenge whose solution would greatly benefit the design and optimization of numerous chemical processes. The separation of rare-earth (4f) and actinide (5f) elements is an example where improving our chemical understanding is important for designing and optimizing new chemistries, even with a limited number of observations. Here, in this work, we leverage data-driven artificial intelligence and machine-learning approaches to develop kinetic reaction networks that describe the liquid–liquid extraction mechanism of uranium using N,N-di-2-ethylhexyl-isobutyramide (DEHiBA). Specifically, we compare and contrast the properties of two classes of models: (1) purely data-driven models that are regularized using chemistry-agnostic, L1 regression and (2) chemistry-informed models that are regularized using relative reaction energies provided by quantum mechanical calculations. We observe that purely data-driven models are unbiased, simple, and accurate in their predictions of experimental measurements when provided with sufficient data but are difficult to fully constrain and interpret. In contrast, chemistry-informed models exhibit significantly improved chemical interpretability and consistency, providing a detailed description of the separation process while achieving high accuracy through ensemble averaging. Overall, the dominant species predicted to be extracted into the organic phase is UO 2 (NO 3 ) 2 (DEHiBA) 2 , agreeing with experimental slope analysis, thermodynamic modeling, EXAFS, and crystal structures. This work demonstrates that leveraging the fundamental structure of the problem can lead to efficient learning schemes that provide both accurate predictions and chemical insights at a low computational cost.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1995

Artificial Neural Networks

Electric power systems represent complex systems involving many electrical components whoseoperation has to be planned, analyzed, monitored and controlled. The time-scale of tasks in electricpower systems extends from long term planning years ahead to milliseconds in the area of control. The behavior of power systems is highly non-linear. Monitoring and control involves several hundred variables which are only partly available by measurements.

Neural Networks↗