Mar 5 – 8, 2024
Lahan Select Gyeongju, South Korea
Asia/Seoul timezone

Interactive Visualization and Automated Analysis of Neutron Scattering Experiments

Mar 7, 2024, 12:10 PM
20m
Lahan Select Gyeongju, South Korea

Lahan Select Gyeongju, South Korea

Lahan Select Gyeongju, South Korea
Oral (16mins + 4 mins) Analysis & Diagnostics Analysis & Diagnostics

Speaker

Matthew Kilpatrick (RadiaSoft LLC)

Description

Neutron scattering experiments have undergone significant technological development through large area detectors with concurrent enhancements in neutron transport and electronic functionality. Data collected for neutron events include detector pixel location in 3D, time and associated metadata, such as, sample orientation, neutron wavelength, and environmental conditions. RadiaSoft and Oak Ridge National Laboratory personnel are considering single-crystal diffraction data from the TOPAZ instrument. We are leveraging a new method for rapid, interactive analysis of neutron data using NVIDIA’s IndeX 3D volumetric visualization framework. We have implemented machine learning techniques to automatically identify Bragg peaks and separate them from diffuse backgrounds and analyze the crystalline lattice parameters for further analysis. A novel CNN architecture has been developed to identify anomalous background from detector instrumentation for dynamical cleaning of measurements. The implementation of automatic peak identification into IndeX allows scientists to visualize and analyze data in real-time. These methods can be applied in real-time during detector operation to improve experimental operations and scientific analysis. Our methods include a robust comparison with current analysis techniques which show improvement in a variety of aspects. These improvements will be incorporated into IndeX for visualization to allow scientists an interactive tool for crystal analysis.

Primary Keyword MLOps
Secondary Keyword anomaly detection
Tertiary Keyword ML-based optimization

Primary author

Matthew Kilpatrick (RadiaSoft LLC)

Co-authors

Alexander Kuhn (NVIDIA) Andrei Savici (Oak Ridge National Laboratory) Bogdan Vacaliuc (Oak Ridge National Laboratory) Christina Hoffman (Oak Ridge National Laboratory) Dr David Bruhwiler (RadiaSoft LLC) Dragos Tatulea (NVIDIA) Evan Carlin (RadiaSoft LLC) Gurhar Khalsa (RadiaSoft LLC) Jorg Mensmann (NVIDIA) Marc Nienhaus (NVIDIA) Matthew Tucker (Oak Ridge National Laboratory) Peter Messmer (NVIDIA) Steffen Roemer (NVIDIA) Zachary Morgan (Oak Ridge National Laboratory)

Presentation materials