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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
DOE OSTI2022

A review of non-cognitive applications for neuromorphic computing

Abstract Though neuromorphic computers have typically targeted applications in machine learning and neuroscience (‘cognitive’ applications), they have many computational characteristics that are attractive for a wide variety of computational problems. In this work, we review the current state-of-the-art for non-cognitive applications on neuromorphic computers, including simple computational kernels for composition, graph algorithms, constrained optimization, and signal processing. We discuss the advantages of using neuromorphic computers for these different applications, as well as the challenges that still remain. The ultimate goal of this work is to bring awareness to this class of problems for neuromorphic systems to the broader community, particularly to encourage further work in this area and to make sure that these applications are considered in the design of future neuromorphic systems.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Auto Procedure Parsing: A Natural Language Processing Approach

Nuclear Power Plant (NPP) operating procedure is “a set of rules that describes how actions on the plant should be made if a certain system goal should be accomplished. U.S. NPPs use paper-based procedures (PBPs). PBPs are difficult to use. Common errors with PBPs are: following the wrong procedure, omit a step etc. Computer based procedures (CPBs) offer great improvement in ensuring plant safety. Some studies rely on experienced operators to understand the procedure content and then reorganize the procedure with digitally executable capabilities. Other studies utilize the procedure format to design rules to extract information from the operating procedures. Existing studies in procedure parsing are manual, laborious and extract limited information. This study aims to automatically extract critical information from operating procedures for generating computer interpretable representation of procedures. Such representation can further be used for automatic dynamic human reliability analysis and CPB design etc.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2014

SU-C-9A-03: Simultaneous Deconvolution and Segmentation for PET Tumor Delineation Using a Variational Method

Purpose: To implement a new method that integrates deconvolution with segmentation under the variational framework for PET tumor delineation. Methods: Deconvolution and segmentation are both challenging problems in image processing. The partial volume effect (PVE) makes tumor boundaries in PET image blurred which affects the accuracy of tumor segmentation. Deconvolution aims to obtain a PVE-free image, which can help to improve the segmentation accuracy. Conversely, a correct localization of the object boundaries is helpful to estimate the blur kernel, and thus assist in the deconvolution. In this study, we proposed to solve the two problems simultaneously using a variational method so that they can benefit each other. The energy functional consists of a fidelity term and a regularization term, and the blur kernel was limited to be the isotropic Gaussian kernel. We minimized the energy functional by solving the associated Euler-Lagrange equations and taking the derivative with respect to the parameters of the kernel function. An alternate minimization method was used to iterate between segmentation, deconvolution and blur-kernel recovery. The performance of the proposed method was tested on clinic PET images of patients with non-Hodgkin's lymphoma, and compared with seven other segmentation methods using the dice similarity index (DSI) and volume error (VE). Results: Among all segmentation methods, the proposed one (DSI=0.81, VE=0.05) has the highest accuracy, followed by the active contours without edges (DSI=0.81, VE=0.25), while other methods including the Graph Cut and the Mumford-Shah (MS) method have lower accuracy. A visual inspection shows that the proposed method localizes the real tumor contour very well. Conclusion: The result showed that deconvolution and segmentation can contribute to each other. The proposed variational method solve the two problems simultaneously, and leads to a high performance for tumor segmentation in PET. This work was supported in part by National Natural Science Foundation of China (NNSFC), under Grant Nos. 60971112 and 61375018, and Fundamental Research Funds for the Central Universities, under Grant No. 2012QN086. Wei Lu was supported in part by the National Institutes of Health (NIH) Grant No. R01 CA172638.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2022

Graph-based featurization methods for classifying small molecule compounds

For over a decade, drug-induced liver injury (DILI) has posed significant drawbacks in the synthesis and development of drugs and remains a consequential concern. With finite success within the existing preclinical models, DILI is one of the main causes of drug withdrawal or termination from the market. Particularly, this withdrawal occurs during the late stages of drug development (Kullak-Ublick, 2017). Since DILI is difficult to diagnose and treat, it has become an obstacle in the drug production market that in turn affects clinicians, pharmaceutical companies, and consumers. We propose a method for learning features of DILI-positive drugs based on the graphical relationships and patterns they possess within a network of biological databases. We also train various statistical and machine learning models on these learned features in order to classify the drugs as DILI-positive or negative. Our methods include Random Forest, Neural networks, and logistic regression classification. We utilize labeled DILI-positive and DILI-negative datasets, which were developed by the FDA and the National center for toxicological research, as well as additional literature datasets (Thakkar, 2020) in order to validate our results and assess our featurization and model accuracy.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Maximum Kolmogorov-Sinai Entropy Versus Minimum Mixing Time in Markov Chains

We establish a link between the maximization of Kolmogorov Sinai entropy (KSE) and the minimization of the mixing time for general Markov chains. Since the maximisation of KSE is analytical and easier to compute in general than mixing time, this link provides a new faster method to approximate the minimum mixing time dynamics. It could be interesting in computer sciences and statistical physics, for computations that use random walks on graphs that can be represented as Markov chains.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2017

Efficient quantum circuits for Szegedy quantum walks

A major advantage in using Szegedy’s formalism over discrete-time and continuous-time quantum walks lies in its ability to define a unitary quantum walk by quantizing a Markov chain on a directed or weighted graph. In this paper, we present a general scheme to construct efficient quantum circuits for Szegedy quantum walks that correspond to classical Markov chains possessing transformational symmetry in the columns of the transition matrix. In particular, the transformational symmetry criteria do not necessarily depend on the sparsity of the transition matrix, so this scheme can be applied to non-sparse Markov chains. Two classes of Markov chains that are amenable to this construction are cyclic permutations and complete bipartite graphs, for which we provide explicit efficient quantum circuit implementations. We also prove that our scheme can be applied to Markov chains formed by a tensor product. We also briefly discuss the implementation of Markov chains based on weighted interdependent networks. In addition, we apply this scheme to construct efficient quantum circuits simulating the Szegedy walks used in the quantum Pagerank algorithm for some classes of non-trivial graphs, providing a necessary tool for experimental demonstration of the quantum Pagerank algorithm. - Highlights: • A general theoretical framework for implementing Szegedy walks using quantum circuits. • Explicit efficient quantum circuit implementation of the Szegedy walk for several classes of graphs. • Efficient implementation of Szegedy walks for quantum page-ranking of a certain class of graphs.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

Survival probabilities in the Sisyphus random walk model with absorbing traps

We analyze the dynamics of the Sisyphus random walk model, a discrete Markov chain in which the walkers may randomly return to their initial position x{sub 0}. In particular, we present a remarkably compact derivation of the time-dependent survival probability function S(t;x{sub 0}) which characterizes the random walkers in the presence of an absorbing trap at the origin. The survival probabilities are expressed in a compact mathematical form in terms of the x{sub 0}-generalized Fibonacci-like numbers G{sub t}{sup (x{sub 0})}. Interestingly, it is proved that, as opposed to the standard random walk model in which the survival probabilities depend linearly on the initial distance x{sub 0} of the walkers from the trap and decay asymptotically as an inverse power of the time, in the Sisyphus random walk model the asymptotic survival probabilities decay exponentially in time and are characterized by a non-trivial (non-linear) dependence on the initial gap x{sub 0} from the absorbing trap. We use the analytically derived results in order to analyze the underlying dynamics of the ‘survival-game’, a highly risky investment strategy in which non-absorbed agents receive a reward P(t) which gradually increases in time.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

ARCH: Large-scale knowledge graph via aggregated narrative codified health records analysis

Objective: Electronic health record (EHR) systems contain a wealth of clinical data stored as both codified data and free-text narrative notes (NLP). The complexity of EHR presents challenges in feature representation, information extraction, and uncertainty quantification. Here, to address these challenges, we proposed an efficient Aggregated naRrative Codified Health (ARCH) records analysis to generate a large-scale knowledge graph (KG) for a comprehensive set of EHR codified and narrative features. Methods: Using data from 12.5 million Veterans Affairs patients, ARCH first derives embedding vectors and generates similarities along with associated p-values to measure the strength of relatedness between clinical features with statistical certainty quantification. Next, ARCH performs a sparse embedding regression to remove indirect linkage between features to build a sparse KG. Finally, ARCH was validated on various clinical tasks, including detecting known relationships between entity pairs, predicting drug side effects, disease phenotyping, as well as sub-typing Alzheimer’s disease patients. Results: ARCH produces high-quality clinical embeddings and KG for over 60,000 codified and narrative EHR concepts. The KG and embeddings are visualized in the R-shiny powered web-API.3 ARCH achieved high accuracy in detecting EHR concept relationships, with AUCs of 0.926 (codified) and 0.861 (NLP) for similar EHR concepts, and 0.810 (codified) and 0.843 (NLP) for related pairs. It detected drug side effects with a 0.723 AUC, which improved to 0.826 after fine-tuning. Using both codified and NLP features, the detection power increased significantly. Compared to other methods, ARCH has superior accuracy and enhances weakly supervised phenotyping algorithms’ performance. Notably, it successfully categorized Alzheimer’s patients into two subgroups with varying mortality rates. Conclusion: The proposed ARCH algorithm generates large-scale high-quality semantic representations and knowledge graph for both codified and NLP EHR features, useful for a wide range of predictive modeling tasks.

Electronic health records↗
DOE OSTI2015

A NOVEL TECHNIQUE TO IMPROVE PHOTOMETRY IN CONFUSED IMAGES USING GRAPHS AND BAYESIAN PRIORS

We present a new technique for overcoming confusion noise in deep far-infrared Herschel space telescope images making use of prior information from shorter λ < 2 μm wavelengths. For the deepest images obtained by Herschel, the flux limit due to source confusion is about a factor of three brighter than the flux limit due to instrumental noise and (smooth) sky background. We have investigated the possibility of de-confusing simulated Herschel PACS 160 μm images by using strong Bayesian priors on the positions and weak priors on the flux of sources. We find the blended sources and group them together and simultaneously fit their fluxes. We derive the posterior probability distribution function of fluxes subject to these priors through Monte Carlo Markov Chain (MCMC) sampling by fitting the image. Assuming we can predict the FIR flux of sources based on the ultraviolet-optical part of their SEDs to within an order of magnitude, the simulations show that we can obtain reliable fluxes and uncertainties at least a factor of three fainter than the confusion noise limit of 3σ {sub c} = 2.7 mJy in our simulated PACS-160 image. This technique could in principle be used to mitigate the effects of source confusion in any situation where one has prior information of positions and plausible fluxes of blended sources. For Herschel, application of this technique will improve our ability to constrain the dust content in normal galaxies at high redshift.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2018

Cyclotomic Shuffles

Analogues of 1-shuffle elements for complex reflection groups of type G(m,1,n) are introduced. A geometric interpretation for G(m,1,n) in terms of rotational permutations of polygonal cards is given. We compute the eigenvalues, and their multiplicities, of the 1-shuffle element in the algebra of the group G(m,1,n). Considering shuffling as a random walk on the group G(m,1,n), we estimate the rate of convergence to randomness of the corresponding Markov chain. We report on the spectrum of the 1-shuffle analogue in the cyclotomic Hecke algebra H(m,1,n) for m=2 and small n.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2017

NOUS: A Knowledge Graph Management System

Knowledge graphs represent information as entities and relationships between them. For tasks such as natural language question answering or automated analysis of text, a knowledge graph provides valuable context to establish the specific type of entities being discussed. It allow us to derive better context about newly arriving information and leads to intelligent reasoning capabilities. We address two primary needs: A) Automated construction of knowledge graphs is a technically challenging, expensive process; and B) The ability to synthesize new information by monitoring newly emerging knowledge is a transformational capability that does not exist in state of the art systems.

Source record↗
DOE OSTI2017

NOUS: A Knowledge Graph Management System

Knowledge graphs represent information as entities and relationships between them. For tasks such as natural language question answering or automated analysis of text, a knowledge graph provides valuable context to establish the specific type of entities being discussed. It allow us to derive better context about newly arriving information and leads to intelligent reasoning capabilities. We address two primary needs: A) Automated construction of knowledge graphs is a technically challenging, expensive process; and B) The ability to synthesize new information by monitoring newly emerging knowledge is a transformational capability that does not exist in state of the art systems.

Source record↗
DOE OSTI2020

Direction-optimizing Label Propagation and its Application for Community Detection

Label Propagation is a machine learning algorithm typically used for classification. It has also been found to be an effective method for detecting communities in networks. It has two attractive features as a community detection method: it has nearly linear runtime and it requires no \textit{a priori} community information. We propose a new Direction Optimizing Label Propagation Algorithm (DOLPA) that relies on the use of {\em frontiers} and alternates between label {\em push} and label {\em pull} operations to enhance the performance of LPA. Specifically, DOLPA has parameters for tuning the processing order of vertices in a graph. This reduces the number of edges visited and improves the quality of solution. We apply DOLPA to community detection and present the design and implementation of the algorithm as well as its shared-memory parallelization using OpenMP. Empirically, we evaluate our algorithm using synthetic graphs as well as real-world networks. Compared with the state-of-art \textit{Parallel Label Propagation} algorithm, we achieve at least two times the F-Score while reducing the runtime by 50\% for synthetic graphs with overlapping communities. We also compare DOLPA against the state-of-art parallel implementation of the Louvain method using the same graphs and show that DOLPA achieves about three times the F-Score at 10\% the runtime. On real-world graphs, we get a speedup of up to $10\times$ using 64 threads.

Liu, X↗
DOE OSTI2020

Topological Analysis of The SPOKE Graph

The SPOKE graph [2, 6] is a sparse decorated semantic graph representing a collection of knowledge collected in many scientific databases from the fields of healthcare, biochemistry, chemistry, biology, et cetera. This knowledge graph is stored as a relational dataset decorated with metadata on each constituent vertex and edge. Formally, the graph is G(V, E, D), where V is a set of n vertices V := {1, ..., n} and edges of the form (i, j) ϵ E for i, j ϵ V, and table D that for any item in V υ E stores unstructured data such as vertex/edge type, nature of a relationship, et cetera. D(i) = {data involving vertex i ϵ V}, and D(i, j) = {data involving edge (i, j) ϵ E}. Here, we treat the graph as undirected in the sense that a direct relationship for (i, j) causes a (possibly opposite) reverse direct relationship for (j, i). The SPOKE graph G(V, E, D) is formed by processing a collection of relational datasets from medicine, chemistry, and biology, connecting many entities. Here, we analyze an instance from 2019, Spoke-20190707, where a graph file contains 6.16M edges and associated metadata and a vertex file contains 2.15M vertices and the associated metadata. There are 12 different types of vertex entities; all edge types used are implicit (see §2). There is other metadata in D on edges and vertices, but we just use the topology and the vertex labels in this report. SPOKE is growing as more knowledge is gained and more datasets are added. SPOKE is likely to grow 10x during the next phase of this project, and we therefore would like to consider topoligical analysis techniques that are scalable to several orders of magnitude larger than the current dataset (say >1B edges).

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

Meta-Learning Enhanced Physics-Informed Graph Attention Convolutional Network for Distribution Power System State Estimation

Promptly perceiving distribution system states is challenged by frequent topology changes and uncertain power injections. To address these issues, a Meta-learning enhanced physics-informed graph attention convolutional network (Meta-PIGACN) model is proposed to handle topological variability in distribution system state estimation (DSSE). Specifically, physics information is integrated into the graph convolutional network, enabling a physics-informed edge-weighting process that incorporates physical information to control the aggregation of neighboring nodes. Besides, the graph attention mechanism automatically adjusts the importance of different neighboring nodes, allowing the capture and preservation of inherent system features across varying topologies, thereby improving state estimation accuracy. Furthermore, meta-learning is proposed to acquire empirical knowledge across multiple topologies so that the model can rapidly adapt to new configurations through iterative gradient descent updates even in large-scale systems. In conclusion, the simulation results based on the 33/118/1746-node distribution systems show the high accuracy and efficiency of the proposed model.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2018

Stationary Distribution of a Stochastic Process

We find a stationary distribution of a stochastic process with delay at the origin. The trajectories of the process have linear growth and random jumps at random times. We use known results for regenerative processes and factorization technique for the study in boundary crossing problems for random walks.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Neuromorphic Graph Algorithms: Cycle Detection, Odd Cycle Detection, and Max Flow

Neuromorphic computing is poised to become a promising computing paradigm in the post Moore’s law era due to its extremely low power usage and inherent parallelism. Spiking neural networks are the traditional use case for neuromorphic systems, and have proven to be highly effective at machine learning tasks such as control problems. More recently, neuromorphic systems have been applied outside of the arena of machine learning, primarily in the field of graph algorithms. Neuromorphic systems have been shown to perform graph algorithms faster and with lower power consumption than their traditional (GPU/CPU) counterparts, and are hence an attractive option for a co-processing unit in future high performance computing systems, where graph algorithms play a critical role. In this paper, we present a neuromorphic implementation of cycle detection, odd cycle detection, and the Ford-Fulkerson max-flow algorithm. We further evaluate the performance of these implementations using the NEST neuromorphic simulator by using spike counts and simulation time as proxies for energy consumption and run time. In addition to gains inherent in neuromorphic systems, we show that within the neuromorphic implementations early stopping criteria can be implemented to further improve performance.

Kay, Bill↗