Data Science in the News

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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...

LLNL to provide supercomputing resources to universities selected by NNSA Advanced Simulation and Computing program

Oct. 2, 2020 - 
LLNL will provide significant computing resources to students and faculty from nine universities that were newly selected for participation in the National Nuclear Security Administration (NNSA)’s Predictive Science Academic Alliance Program (PSAAP). The program is funded by NNSA’s Office of Advanced Simulation and Computing (ASC) program. The primary focus of this third phrase of PSAAP will...

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...

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.

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...

New ML platform generates novel COVID-19 antibody sequences for experimental testing

May 1, 2020 - 
LLNL researchers have identified an initial set of therapeutic antibody sequences, designed in a few weeks using machine learning and supercomputing, aimed at binding and neutralizing SARS-CoV-2, the virus that causes COVID-19. The research team is performing experimental testing on the chosen antibody designs. Read more at LLNL News.

New partnership results in increased access to compelling 'real world data'

April 21, 2020 - 
Through a new partnership between the UC San Diego Library, Halıcıoğlu Data Science Institute (HDSI), and LLNL's Data Science Institute, UCSD library patrons can now access and analyze two new “real world” data sets from LLNL. The Open Data Initiative collection shares some of LLNL’s challenging and unique data sets, which range in complexity from large-scale, domain-specific simulated data...

Upgrades for LLNL supercomputer from AMD, Penguin Computing aid COVID-19 research

April 21, 2020 - 
Under a new agreement, AMD will supply upgraded graphics accelerators for LLNL’s Corona supercomputing cluster, expected to nearly double the system’s peak compute power. The system will be used by scientists through the public/private COVID-19 HPC Consortium, and by LLNL researchers, who are working on discovering potential antibodies and anti-viral compounds for SARS-CoV-2, the virus that...

LLNL creates web resources to aid in fight against COVID-19

March 30, 2020 - 
LLNL is fully committed to helping protect the U.S. from COVID-19 and to speed the recovery of those affected. As a world-class research institute, we have considerable infrastructure, unique research capabilities and a dedicated team of scientists and engineers supporting the fight against the COVID-19 pandemic. Our current COVID-19 research and response activities are focused on four broad...

New partnership to unleash U.S. supercomputing resources in the fight against COVID-19

March 26, 2020 - 
The White House announced the launch of the COVID-19 High Performance Computing Consortium to provide COVID-19 researchers worldwide with access to the world’s most powerful high performance computing resources that can significantly advance the pace of scientific discovery in the fight to stop the virus. Read more at LLNL News.

Lab antibody, anti-viral research aids COVID-19 response

March 26, 2020 - 
LLNL scientists are contributing to the global fight against COVID-19 by combining artificial intelligence/machine learning, bioinformatics and supercomputing to help discover candidates for new antibodies and pharmaceutical drugs to combat the disease. Armed with the virus’ predicted 3D structure and a few antibodies known to bind and neutralize SARS, an LLNL team led by Daniel Faissol and...

DSI sponsors LLNL hackathon

Feb. 18, 2020 - 
Since 2012, Lawrence Livermore National Laboratory’s (LLNL’s) Computing directorate has held hackathons three times a year. These spring, summer, and fall events are scheduled over 24 hours and invite software teams to work on new ideas, programming languages, open-source tools, or project tasks. Exploration and experimentation are highly encouraged, and “It’s OK to fail” is the event mantra...

Deep learning may provide solution for efficient charging, driving of autonomous electric vehicles

Feb. 4, 2020 - 
LLNL computer scientists and software engineers have developed a deep learning-based strategy to maximize electric vehicle (EV) ride-sharing services while reducing carbon emissions and the impact to the electrical grid, emphasizing autonomous EVs capable of offering 24-hour service. Read more at LLNL News.

Department of Energy researchers share data management strategies at first-ever “Data Day”

Nov. 11, 2019 - 
It’s become something of a mantra of the digital age: Data is the new currency. Especially in science, where it’s hard to find a single project that doesn’t involve generating or consuming massive amounts of data. In light of the growing awareness of the critical importance of data management across the Department of Energy complex, more than 100 researchers from DOE national laboratories...

Lab leads effort to model proteins tied to cancer

Oct. 31, 2019 - 
Computational scientists, biophysicists and statisticians from LLNL and Los Alamos National Laboratory(LANL) are leading a massive multi-institutional collaboration that has developed a machine learning-based simulation for next-generation supercomputers capable of modeling protein interactions and mutations that play a role in many forms of cancer. Read more at LLNL News.

Cindy Gonzales forges a new career in data science

Sept. 25, 2019 - 
Through LLNL’s Data Science Immersion Program, Gonzales is now among the Lab’s newest data scientists. For two and a half years, she juggled a demanding workload—coordinating Computing’s Scholar Program, interning with data scientists, learning from mentors, supporting LLNL’s Data Science Institute, and attending college part time—while also having her first child. Read more at LLNL Computing...

NFL comes to Lab to hear latest on TBI research

June 5, 2019 - 
Officials from the National Football League visited LLNL to hear how the Department of Energy’s national laboratories are using high-performance computing and artificial intelligence to advance scientific understanding of traumatic brain injury (TBI). Read more at LLNL News.