Driving Design with Cognitive Simulation

Jayson Peterson | 21-ERD-028

Executive Summary

We are developing new solutions to produce optimal designs using complex multiphysics codes to address problems in inertial confinement fusion and high-energy-density science. By combining novel design strategies with a new class of cognitive simulation models, the research will enable optimal experiment designs for stockpile stewardship and other national security missions.

Publications, Presentations, and Patents

Anirudh, Rushil and Jayaraman J. Thiagarajan. “Delta-UQ: Accurate Uncertainty Quantification via Anchor Marginalization.” AAAI Conference on Artificial Intelligence 2022. LLNL-CONF-823079.

Narayanaswamy, V., R. Anirudh, Y. Mubarka, I. Kim, A. Spanias, and J. Thiagarajan. “Predicting the Generalization Gap in Deep Models Using Anchoring." IEEE ICASSP 2022. LLNL-CONF-827844.

Thiagarajan, J., R. Anirudh, V. Narayanaswamy, Y. Mubarka, I. Kim, P. T. Bremer, L. Peterson, B. Spears. "Data-Efficient Scientific Design Optimization with Neural Network Surrogates." ICML ReALML Workshop 2022. LLNL-CONF-835898.

Anirudh, R., J. Thiagarajan. 2022. "Out of Distribution Detection with Neural Network Anchoring." ACML 2022. LLNL-JRNL-829478.

Thiagarajan, J., R. Anirudh, V. Narayanaswamy, and P.T. Bremer. 2022. “Single Model Uncertainty Estimation via Stochastic Data Centering.” NeurIPS 2022. LLNL-JRNL-835423.

Peterson, J.L., B. Bay, J. Koning, P. Robinson, J. Semler, R. Anirudh, K. Athey, P. T. Bremer, V. Castillo, F. Di Natale, D. Fox, J. A. Gaffney, D. Hysom, S. A. Jacobs, B. Kailkhura, B. Kustowski, S. Langer, B. K. Spears, J. Thiagarajan, B. Van Essen, J. L. White, and J. S. Yeom. March 2022. “Enabling Machine Learning-Ready HPC Ensembles with Merlin.” Future Generation Computer Systems. 131 2055. LLNL-JRNL-821884.

Gillette, Andrew. “Delaunay-Guided Neural Network Design.” Colorado State Applied Math Seminar. February 2021. LLNL-PRES-819811.Gillette, Andrew. “Delaunay-Based Assessment of Variational Autoencoders.” SIAM Conference on Computational Science and Engineering. March 2021. LLNL-PRES-819941.Gillette, Andrew. "Delaunay Interpolation Diagnostics for Model Assessment." Center for Math and AI Colloq. December 2021. LLNL-PRES-829624.Gillette, Andrew. "Barycentric Coordinates in General Dimensions." CSF Workshop on Generalized Barycentric Coordinates in Computer Graphics and Computational Mechanics. June 2022. LLNL-PRES-836213.