Data Science in the News

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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.

The incorporation of machine learning into scientific simulations at LLNL (VIDEO)

May 5, 2020 - 
In this video from the Stanford HPC Conference, Katie Lewis presents "The Incorporation of Machine Learning into Scientific Simulations at Lawrence Livermore National Laboratory." Read more and watch the video at insideHPC.

Building knowledge and insights using machine learning of scientific articles

May 5, 2020 - 
Nanomaterials are widely used at LLNL and in industry for many applications from catalysis to optics to additive manufacturing. The combination of nanomaterials’ shape, size, and composition can impart unique optical, electrical, mechanical, or catalytic properties needed for a specific application. However, synthesizing a specific nanomaterial and scaling up its production is often...

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.

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...

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...

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.

Machine learning accelerates high-performance materials development

Feb. 13, 2020 - 
Lawrence Livermore National Laboratory (LLNL) and its partners rely on timely development and deployment of diverse materials to support a variety of national security missions. However, materials development and deployment can take many years from initial discovery of a new material to deployment at scale. Now, an interdisciplinary team of LLNL researchers from the Physical and Life Sciences...

LLNL-led team awarded Best Paper at SC19 for modeling cancer-causing protein interactions

Nov. 22, 2019 - 
A panel of judges at the International Conference for High Performance Computing, Networking, Storage and Analysis (SC19) on Thursday awarded a multi-institutional team led by Lawrence Livermore National Laboratory computer scientists with the conference’s Best Paper award. The paper, entitled “Massively Parallel Infrastructure for Adaptive Multiscale Simulations: Modeling RAS Initiation...

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...

Big data illuminates the physical sciences

Nov. 6, 2019 - 
Livermore teams are applying innovative data analysis and interpretation techniques to advance fundamental science research. This article describes projects in astrophysics and materials science. Read more at Science & Technology Review.

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.

Successful simulation and visualization coupling proves the power of Sierra

Oct. 22, 2019 - 
As the first National Nuclear Security Administration (NNSA) production supercomputer backed by GPU- (graphics processing unit) accelerated architecture, Sierra’s acquisition required a fundamental shift in how scientists at Lawrence Livermore National Laboratory (LLNL) program their codes to take advantage of the GPUs. The majority of Sierra’s computational power—95 percent of its 125...

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...

Collaboration drives data science workshop

Sept. 12, 2019 - 
Lawrence Livermore National Laboratory’s (LLNL’s) Data Science Institute (DSI) hosted its second annual workshop on July 23–24, 2019. Co-sponsored by the University of California (UC) system, the event drew more than 200 participants to Garré Winery in Livermore. A common theme ran throughout both days: Collaboration is always welcome. Indeed, feedback from last year’s workshop inspired a...

Energy Department, Weill Foundation sign MOU to advance AI for biomedicine, health research

Aug. 27, 2019 - 
U.S. Secretary of Energy Rick Perry and Sandy Weill, founder of the Weill Family Foundation, signed a memorandum of understanding (MOU) to formally initiate a public-private partnership for artificial intelligence (AI), neurological disorders and related subjects. The MOU will foster collaboration to demonstrate AI-based research breakthroughs that span from basic science focused on a better...

CANDLE illuminates new pathways in fight against cancer

Aug. 16, 2019 - 
As part of the Department of Energy’s role in the fight against cancer, scientists are building tools that use supercomputers to solve problems in entirely new ways. Cancer research provides a complex deep learning challenge that enables DOE to develop new supercomputing capabilities that will, in turn, help scientists address challenges in national security and science. The CANcer...

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.