Data Science in the News

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LLNL/ATOM engagement with Purdue introduces students to drug design modeling

Aug. 9, 2021 - 
Through an engagement with Purdue University’s The Data Mine learning community, LLNL and Purdue are partnering to speed up drug design using computational tools under the Accelerating Therapeutic Opportunities in Medicine (ATOM) project. Over two recent semesters (fall 2020 and spring 2021), LLNL bioinformatics scientist and ATOM researcher Jonathan Allen mentored a cohort of 20...

Brian Gallagher combines science with service

June 20, 2021 - 
Brian Gallagher works on applications of machine learning for a variety of science and national security questions. He’s also a group leader, student mentor, and the new director of LLNL’s Data Science Challenge. The Lab has enabled Gallagher to combine scientific pursuits with leadership positions and people-focused responsibilities. “For a long time, my primary motivation was learning new...

Machine learning aids in materials design

June 10, 2021 - 
A long-held goal by chemists across many industries is to imagine the chemical structure of a new molecule and be able to predict how it will function for a desired application. In practice, this vision is difficult, often requiring extensive laboratory work to synthesize, isolate, purify, and characterize newly designed molecules to obtain the desired information. Recently, a team of LLNL...

COVID-19 detection and analysis with Nisha Mulakken (VIDEO)

June 7, 2021 - 
LLNL biostatistician Nisha Mulakken 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 novel species identification for human health, animal health, biodefense, and environmental sampling...

Advanced Data Analytics for Proliferation Detection shares technical advances during two-day meeting

May 7, 2021 - 
The Advanced Data Analytics for Proliferation Detection (ADAPD) program held a two-day virtual technical exchange meeting recently. The goal of the meeting was to highlight the science-based and data-driven analysis work conducted by ADAPD to advance the state-of-the-art to accelerate artificial intelligence (AI) innovation and develop AI-enabled systems to enhance the United States’...

Lab offers forum on machine learning for industry

April 22, 2021 - 
LLNL is looking for participants and attendees from industry, research institutions and academia for the first-ever Machine Learning for Industry Forum (ML4I), a three-day virtual event starting Aug. 10. The event is sponsored by LLNL’s High Performance Computing Innovation Center and the Data Science Institute. The deadline for submitting presentations or industry use cases is June 30. The...

COVID-19 HPC Consortium reflects on past year

April 1, 2021 - 
COVID-19 HPC Consortium scientists and stakeholders met virtually on March 23 to mark the consortium’s one-year anniversary, discussing the progress of research projects and the need to pursue a broader organization to mobilize supercomputing access for future crises. The White House announced the launch of the public-private consortium, which provides COVID-19 researchers with free access to...

ATOM Consortium welcomes 3 DOE national labs to accelerate drug discovery

March 29, 2021 - 
The Accelerating Therapeutics for Opportunities in Medicine (ATOM) consortium, of which LLNL is part, announced the U.S. Department of Energy’s Argonne, Brookhaven and Oak Ridge national laboratories are joining the consortium to further develop ATOM’s AI-driven drug discovery platform. The public-private ATOM consortium aims to transform drug discovery from a slow, sequential and high-risk...

'Self-trained' deep learning to improve disease diagnosis

March 4, 2021 - 
New work by computer scientists at LLNL and IBM Research on deep learning models to accurately diagnose diseases from X-ray images with less labeled data won the Best Paper award for Computer-Aided Diagnosis at the SPIE Medical Imaging Conference on February 19. The technique, which includes novel regularization and “self-training” strategies, addresses some well-known challenges in the...

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...

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...

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.

Using models, 3D printing to study common heart defect

Aug. 10, 2020 - 
One of the most common congenital heart defects, coarctation of the aorta (CoA) is a narrowing of the main artery transporting blood from the heart to the rest of the body. It affects more than 1,600 newborns each year in the United States, and can lead to health issues such as hypertension, premature coronary artery disease, aneurysms, stroke and cardiac failure. To better understand risk...

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...

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...

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...

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.

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...