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Lab researchers explore ‘learn-by-calibration’ approach to deep learning to accurately emulate scientific process
Feb. 10, 2021 -
An LLNL team has developed a “Learn-by-Calibrating” method for creating powerful scientific emulators that could be used as proxies for far more computationally intensive simulators. Researchers found the approach results in high-quality predictive models that are closer to real-world data and better calibrated than previous state-of-the-art methods. The LbC approach is based on interval...
CASC research in machine learning robustness debuts at AAAI conference
Feb. 10, 2021 -
LLNL’s Center for Applied Scientific Computing (CASC) has steadily grown its reputation in the artificial intelligence (AI)/machine learning (ML) community—a trend continued by three papers accepted at the 35th AAAI Conference on Artificial Intelligence, held virtually on February 2–9, 2021. Computer scientists Jayaraman Thiagarajan, Rushil Anirudh, Bhavya Kailkhura, and Peer-Timo Bremer led...
LLNL physicist wins Young Former Student award
Dec. 16, 2020 -
Texas A&M University’s Department of Nuclear Engineering on December 10 announced it has honored LLNL physicist Kelli Humbird with its 2020-21 Young Former Student award for her work at LLNL in combining machine learning with inertial confinement fusion (ICF) research. Humbird graduated from Texas A&M with a PhD in nuclear engineering in 2019. Since joining the Laboratory as an intern in 2016...
NeurIPS papers aim to improve understanding and robustness of machine learning algorithms
Dec. 7, 2020 -
The 34th Conference on Neural Information Processing Systems (NeurIPS) is featuring two papers advancing the reliability of deep learning for mission-critical applications at LLNL. The most prestigious machine learning conference in the world, NeurIPS began virtually on Dec. 6. The first paper describes a framework for understanding the effect of properties of training data on the...
Model for COVID-19 drug discovery a Gordon Bell finalist
Nov. 17, 2020 -
A machine learning model developed by a team of LLNL scientists to aid in COVID-19 drug discovery efforts is a finalist for the Gordon Bell Special Prize for High Performance Computing-Based COVID-19 Research. Using Sierra, the world’s third fastest supercomputer, LLNL scientists produced a more accurate and efficient generative model to enable COVID-19 researchers to produce novel compounds...
From intern to mentor, Nisha Mulakken builds a career in bioinformatics
Nov. 3, 2020 -
The COVID-19 pandemic has sparked a wave of new research and development at the Lab, and Nisha Mulakken is very busy. The biostatistician has enhanced the Lawrence Livermore Microbial Detection Array (LLMDA) system with detection capability for all variants of SARS-CoV-2. The technology detects a broad range of organisms—viruses, bacteria, archaea, protozoa, and fungi—and has demonstrated...
Machine learning speeds up and enhances physics calculations
Oct. 1, 2020 -
Interpreting data from NIF’s cutting-edge high energy density science experiments relies on physics calculations that are so complex they can challenge LLNL supercomputers, which stand among the best in the world. A collaboration between LLNL and French researchers found a novel way to incorporate machine learning and neural networks to significantly speed up inertial confinement fusion...
The internship that launched a machine-learning target revolution
Oct. 1, 2020 -
Kelli Humbird came to LLNL as a student intern and became a teacher of new data science techniques. In this profile, she describes her experiences and the path that led to her research inertial confinement fusion. Read more at the National Ignition Facility.
Advancing healthcare with data science (VIDEO)
Aug. 3, 2020 -
This video provides an overview of projects in which data scientists work with domain scientists to address major challenges in healthcare. To help fight the COVID-19 pandemic, researchers are developing computer models to search for potential antibody and antiviral drug treatments, sharing a data portal with scientists and the general public, and analyzing drug compounds via a novel text...
Software integration of AI accelerators in HPC (VIDEO)
July 31, 2020 -
In this episode of Next Platform TV, LLNL's Brian Van Essen talks about AI accelerator integration in HPC systems and software stacks. His interview begins at timestamp 27:57. Watch on YouTube.
Machine learning model may perfect 3D nanoprinting
July 29, 2020 -
Two-photon lithography (TPL)—a widely used 3D nanoprinting technique that uses laser light to create 3D objects—has shown promise in research applications but has yet to achieve widespread industry acceptance due to limitations on large-scale part production and time-intensive setup. LLNL scientists and collaborators turned to machine learning to address two key barriers to industrialization...
LLNL papers accepted into prestigious conference
July 9, 2020 -
Two papers featuring LLNL scientists were accepted in the 2020 International Conference on Machine Learning (ICML), one of the world’s premier conferences of its kind. Read more at LLNL News.
Lockdown doesn’t hinder annual Data Science Challenge
June 26, 2020 -
Due to the COVID-19 pandemic and shelter-in-place restrictions, this year’s Data Science Challenge with the University of California, Merced was an all-virtual offering. The two-week challenge involved 21 UC Merced students who worked from their homes through video conferencing and chat programs to develop machine learning models capable of differentiating potentially explosive materials from...
DL-based surrogate models outperform simulators and could hasten scientific discoveries
June 17, 2020 -
Surrogate models supported by neural networks can perform as well, and in some ways better, than computationally expensive simulators and could lead to new insights in complicated physics problems such as inertial confinement fusion (ICF), LLNL scientists reported. Read more at LLNL News.
Carnegie Live: high energy density science and AI (VIDEO)
June 9, 2020 -
In this Carnegie Live video, Seiichi Shimasaki, Science Counselor for the Japanese embassy in the U.S., described a multiyear science research program (nicknamed the “Moonshot”) to develop new technologies that help solve some of society’s most pressing challenges. He explained that the Government of Japan was looking for a data science program to mentor young scientists, which led to the...
Lab team studies calibrated AI and deep learning models to more reliably diagnose and treat disease
May 29, 2020 -
A team led by LLNL computer scientist Jay Thiagarajan has developed a new approach for improving the reliability of artificial intelligence and deep learning-based models used for critical applications, such as health care. Thiagarajan recently applied the method to study chest X-ray images of patients diagnosed with COVID-19, arising due to the novel SARS-Cov-2 coronavirus. Read more at LLNL...
AI identifies change in microstructure in aging materials
May 26, 2020 -
LLNL scientists have taken a step forward in the design of future materials with improved performance by analyzing its microstructure using AI. The work recently appeared online in the journal Computational Materials Science. Read more at LLNL News.
AI hardware for future HPC systems (VIDEO)
May 20, 2020 -
This interview with Brian Spears, who leads cognitive simulations at LLNL, covers the current state of evaluation of AI chips and how those will mesh with existing and future HPC systems. Watch on YouTube.
COVID-19 research goes public through new portal
May 18, 2020 -
A new online data portal is making available to the public a wealth of data LLNL scientists have gathered from their ongoing COVID-19 molecular design projects, particularly the computer-based “virtual” screening of small molecules and designed antibodies for interactions with the SARS-CoV-2 virus for drug design purposes. The portal houses a wealth of data LLNL scientists have gathered from...
Interpretable AI in healthcare (PODCAST)
May 17, 2020 -
LLNL's Jay Thiagarajan joins the Data Skeptic podcast to discuss his recent paper "Calibrating Healthcare AI: Towards Reliable and Interpretable Deep Predictive Models." The episode runs 35:50. Listen at Data Skeptic.