Multi-physics simulations of particle tracking in arterial geometries with a scalable moving window algorithm
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In this paper, we propose an analytical framework to quantify the amount of data samples needed to obtain accurate state estimation in a power system-a problem known as \emph{sample complexity} analysis in computer science. Motivated by the increasing adoption of distributed energy resources into the distribution-level grids, it becomes imperative to estimate the state of distribution grids in order to ensure stable operation. Traditional power system state estimation techniques mainly focus on the transmission network which involve solving an overdetermined system and eliminating bad data. However, distribution networks are typically \emph{underdetermined} due to the large number of connection points and high cost of pervasive installation of measurement devices. In this paper, we consider the recently proposed state-estimation method for underdetermined systems that is based on \emph{matrix completion}. In particular, a \emph{constrained} matrix completion algorithm was proposed, wherein the standard matrix completion problem is augmented with additional equality constraints representing the physics (namely power-flow constraints). We analyze the sample complexity of this general method by proving an upper bound on the sample complexity that depends directly on the properties of these constraints that can lower number of needed samples as compared to the unconstrained problem. To demonstrate the improvement that the constraints add to state estimation, we test the method on a 141-bus distribution network case study and compare it to the traditional least squares minimization state estimation method.
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H\"older-Brascamp-Lieb inequalities provide upper bounds for a class of multilinear expressions, in terms of $L^p$ norms of the functions involved. They have been extensively studied for functions defined on Euclidean spaces. Bennett-Carbery-Christ-Tao have initiated the study of these inequalities for discrete Abelian groups and, in terms of suitable data, have characterized the set of all tuples of exponents for which such an inequality holds for specified data, as the convex polyhedron defined by a particular finite set of affine inequalities. In this paper we advance the theory of such inequalities for torsion-free discrete Abelian groups in three respects. The optimal constant in any such inequality is shown to equal $1$ whenever it is finite. An algorithm that computes the admissible polyhedron of exponents is developed. It is shown that nonetheless, existence of an algorithm that computes the full list of inequalities in the Bennett-Carbery-Christ-Tao description of the admissible polyhedron for all data, is equivalent to an affirmative solution of Hilbert's Tenth Problem over the rationals. That problem remains open. Applications to computer science will be explored in a forthcoming companion paper.
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Presented by NETL at SIAM Conference on Computational Science and Engineering, 02/19
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Time series forecasting is an extensively studied subject in statistics, economics, and computer science. Exploration of the correlation and causation among the variables in a multivariate time series shows promise in enhancing the performance of a time series model. When using deep neural networks as forecasting models, we hypothesize that exploiting the pairwise information among multiple (multivariate) time series also improves their forecast. If an explicit graph structure is known, graph neural networks (GNNs) have been demonstrated as powerful tools to exploit the structure. In this work, we propose learning the structure simultaneously with the GNN if the graph is unknown. We cast the problem as learning a probabilistic graph model through optimizing the mean performance over the graph distribution. The distribution is parameterized by a neural network so that discrete graphs can be sampled differentiably through reparameterization. Empirical evaluations show that our method is simpler, more efficient, and better performing than a recently proposed bilevel learning approach for graph structure learning, as well as a broad array of forecasting models, either deep or non-deep learning based, and graph or non-graph based.
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Predicting molecular activity against protein targets is difficult because of the paucity of experimental data. Approaches like multitask modeling and collaborative filtering seek to improve model accuracy by leveraging results from multiple targets, but are limited because different compounds are measured with different assays, leading to sparse data matrices. Profile-QSAR (pQSAR) 2.0 addresses this problem by fitting a series of partial least squares models for each target, using as features the predictions from single-task models on the remaining targets. Here, this method has been shown to produce better results than single task and multitask models. However, the factors determining the success of pQSAR 2.0 have as yet not been characterized. In this paper we examine the experimental conditions that lead to better pQSAR models. We limit the amount of data available to the method by retraining with decreasing amounts of data and explore the model’s ability to generalize to compounds that have never been assayed. Finally, we look at the properties of training data needed to demonstrate pQSAR improvement.
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Understanding the time-varying magnetic field in a fusion device is critical for the successful design and construction of clean-burning fusion power plants. Poincaré analysis provides a powerful method for the visualization of magnetic fields in fusion devices. However, Poincaré plots can be very computationally expensive making it impractical, for example, to generate these plots in situ during a simulation. In this short paper, we describe a collaboration among computer science and physics researchers to develop a new Poincaré tool that provides a significant reduction in the time to generate analysis results.
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An overview regarding NASA Ames Advanced Computing Systems. This presentation will discuss the modeling, simulation, analysis, and decision-making in relation to the Advanced Computing Systems.
An overview regarding NASA Ames Advanced Computing Systems. This presentation will discuss themodeling, simulation, analysis, and decision-making in relation to the Advanced Computing Systems.