Search NASA⌕ Search

SEARCH · Search NASA

Results for “multipartite graphs”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

3 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

ChemoGraph: Interactive Visual Exploration of the Chemical Space

Exploratory analysis of the chemical space is an important task in the field of cheminformatics. For example, in drug discovery research, chemists investigate sets of thousands of chemical compounds in order to identify novel yet structurally similar synthetic compounds to replace natural products. Manually exploring the chemical space inhabited by all possible molecules and chemical compounds is impractical, and therefore presents a challenge. To fill this gap, we present ChemoGraph, a novel visual analytics technique for interactively exploring related chemicals. In ChemoGraph, we formalize a chemical space as a hypergraph and apply novel machine learning models to compute related chemical compounds. It uses a database to find related compounds from a known space and a machine learning model to generate new ones, which helps enlarge the known space. Moreover, ChemoGraph highlights interactive features that support users in viewing, comparing, and organizing computationally identified related chemicals. With a drug discovery usage scenario and initial expert feedback from a case study, we demonstrate the usefulness of ChemoGraph.

chemical space exploration↗
DOE OSTI2023

Evaluating Robust Entanglement on a Trapped Ion Platform

We present proof of principle results for evaluating an entanglement volumetric benchmark [1] on trapped ion platforms. The benchmark quantifies the robustness of multipartite and bipartite entanglement using stabilizer measurements and witness functions. Each n-qubit graph state is prepared and used to evaluate n state-specific stabilizer strings. These stabilizer measurements are used to evaluate entanglement witness functions. The entanglement benchmark defines families of graph states associated with an initial sub-graph of the hardware qubit connectivity - with all-to-all connectivity, trapped ion systems provide a flexibility in the choice of this initial graph, and this will affect the associated family. In this work, we present results targeting several classes of entangled states: 1) 1-D cluster states, 2) n-qubit GHZ states, and 3) cycle graph states. These states have been found in the literature as standard hardware benchmarks, and have connections to many near-term applications.

Hamilton, Kathleen↗
DOE OSTI2022

Topological Link Models of Multipartite Entanglement

We introduce a novel model of multipartite entanglement based on topological links, generalizing the graph/hypergraph entropy cone program. We demonstrate that there exist link representations of entropy vectors which provably cannot be represented by graphs or hypergraphs. Furthermore, we show that the contraction map proof method generalizes to the topological setting, though now requiring oracular solutions to well-known but difficult problems in knot theory.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗