Data Science in the News

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ML model instantly predicts polymer properties

Nov. 30, 2022 - 
Hundreds of millions of tons of polymer materials are produced globally for use in a vast and ever-growing application space with new material demands such as green chemistry polymers, consumer packaging, adhesives, automotive components, fabrics and solar cells. But discovering suitable polymer materials for use in these applications lies in accurately predicting the properties that a...

LLNL staff returns to Texas-sized Supercomputing Conference

Nov. 23, 2022 - 
The 2022 International Conference for High Performance Computing, Networking, Storage, and Analysis (SC22) returned to Dallas as a large contingent of LLNL staff participated in sessions, panels, paper presentations, and workshops centered around HPC. The world’s largest conference of its kind celebrated its highest in-person attendance since the start of the COVID-19 pandemic, with about 11...

LLNL researchers win HPCwire award for applying cognitive simulation to ICF

Nov. 17, 2022 - 
The high performance computing publication HPCwire announced LLNL as the winner of its Editor’s Choice award for Best Use of HPC in Energy for applying cognitive simulation (CogSim) methods to inertial confinement fusion (ICF) research. The award was presented at the largest supercomputing conference in the world: the 2022 International Conference for High Performance Computing, Networking...

Understanding the universe with applied statistics (VIDEO)

Nov. 17, 2022 - 
In a new video posted to the Lab’s YouTube channel, statistician Amanda Muyskens describes MuyGPs, her team’s innovative and computationally efficient Gaussian Process hyperparameter estimation method for large data. The method has been applied to space-based image classification and released for open-source use in the Python package MuyGPyS. MuyGPs will help astronomers and astrophysicists...

LLNL scientists eagerly anticipate El Capitan’s potential impact

Oct. 18, 2022 - 
While LLNL is eagerly awaiting the arrival of its first exascale-class supercomputer, El Capitan, physicists and computer scientists running scientific applications on testbeds for the machine are getting a taste of what to expect. “El Capitan has the potential of enabling more than 10x increase in problem throughput,” said Teresa Bailey, associate program director for computation physics in...

ESGF launches effort to upgrade climate projection data system

Oct. 5, 2022 - 
The Earth System Grid Federation (ESGF), a multi-agency initiative that gathers and distributes data for top-tier projections of the Earth’s climate, is preparing a series of upgrades that will make using the data easier and faster while improving how the information is curated. The federation, led by the Department of Energy’s Oak Ridge National Laboratory in collaboration with Argonne and...

Scientific discovery for stockpile stewardship

Sept. 27, 2022 - 
Among the significant scientific discoveries that have helped ensure the reliability of the nation’s nuclear stockpile is the advancement of cognitive simulation. In cognitive simulation, researchers are developing AI/ML algorithms and software to retrain part of this model on the experimental data itself. The result is a model that “knows the best of both worlds,” says Brian Spears, a...

LLNL to cooperate with University of Utah's one oneAPI Center of Excellence

Sept. 21, 2022 - 
The University of Utah has announced the creation of a new oneAPI Center of Excellence focused on developing portable, scalable and performant data compression techniques. The oneAPI Center will be headed out of the University of Utah’s Center for Extreme Data Management Analysis and Visualization (CEDMAV) and will involve the cooperation of LLNL’s Center for Applied Scientific Computing. It...

S&TR cover story: The ACES in our hand

Sept. 20, 2022 - 
Uranium enrichment is central to providing fuel to nuclear reactors, even those intended only for power generation. With minor modifications, however, this process can be altered to yield highly enriched uranium for use in nuclear weapons. The world’s need for nuclear fuel coexists with an ever-present danger—that a nonnuclear weapons nation-state possessing enrichment technology could...

Lab directors discuss LLNL’s past, present and future at ‘historic conversation’

Sept. 14, 2022 - 
On a historic occasion in the Livermore wine country, the nine living LLNL directors gathered on Sept. 8 to mark the Laboratory’s 70th anniversary, share stories and discuss their vision for the Lab in the coming years. Hosted by the nonprofit Livermore Lab Foundation, the panel brought past directors John Foster Jr., John Nuckolls, Bruce Tarter, George Miller, Parney Albright, and Bill...

Celebrating 10 years of hackathons

Sept. 7, 2022 - 
Hackathons are one of LLNL Computing’s most enduring and beloved traditions. Although some details have changed since the first hackathon, the premise remains the same: Participants have 24 hours to work on any project of their choosing, whether that’s learning a programming language, building a prototype, developing a new skill, or experimenting with a software framework. They are encouraged...

LLNL team claims top AI award at international symbolic regression competition

Aug. 16, 2022 - 
An LLNL team claimed a top prize at an inaugural international symbolic regression competition for an artificial intelligence (AI) framework they developed capable of explaining and interpreting real-life COVID-19 data. Hosted by the open source SRBench project at the 2022 Genetic and Evolutionary Computation Conference (GECCO), the competition had two tracks—synthetic and real-world—and...

An open-source, data-science toolkit for energy: GridDS

Aug. 2, 2022 - 
As the number of smart meters and the demand for energy is expected to increase by 50% by 2050, so will the amount of data those smart meters produce. While energy standards have enabled large-scale data collection and storage, maximizing this data to mitigate costs and consumer demand has been an ongoing focus of energy research. An LLNL team has developed GridDS—an open-source, data-science...

LLNL cancer research goes exascale

July 20, 2022 - 
An LLNL team will be among the first researchers to perform work on the world’s first exascale supercomputer—Oak Ridge National Laboratory’s Frontier—when they use the system to model cancer-causing protein mutations. Led by Harsh Bhatia, a computer scientist in the Center of Applied Computing at LLNL, the team was awarded limited access to Frontier under the DOE's Advanced Scientific...

Panel discussion spotlights COVID-19 R&D

July 19, 2022 - 
The DSI’s career panel series continued on June 28 to highlight some of LLNL’s COVID-19 research projects. Three data scientists—Emilia Grzesiak, Derek Jones, and Priyadip Ray—joined moderator and data scientist Stewart He to talk about their work in drug screening, protein–drug compounds, antibody–antigen sequence analysis, and risk factor identification. He, who earned a PhD in Computer...

Introduction to deep learning for image classification workshop (VIDEO)

July 6, 2022 - 
In addition to its annual conference held every March, the global Women in Data Science (WiDS) organization hosts workshops and other activities year-round to inspire and educate data scientists worldwide, regardless of gender, and to support women in the field. On June 29, LLNL’s Cindy Gonzales led a WiDS Workshop titled “Introduction to Deep Learning for Image Classification.” The abstract...

NNSA Administrator Hruby dedicates LLNL’s computing facility upgrade

June 20, 2022 - 
On June 15, Department of Energy Under Secretary for Nuclear Security and Administrator for the National Nuclear Security Administration (NNSA) Jill Hruby dedicated two critical infrastructure projects at LLNL, part of a three-day visit to the Lab. Hruby attended ribbon-cutting ceremonies for the Exascale Computing Facility Modernization (ECFM) project and LLNL’s new Emergency Operations...

LLNL’s Brase discusses advances by ATOM in accelerating drug discovery pipeline

June 7, 2022 - 
The private-public Accelerating Therapeutic Opportunities in Medicine (ATOM) consortium is showing “significant” progress in demonstrating that HPC and M) tools can speed up the drug discovery process, said Jim Brase, ATOM co-lead and LLNL’s deputy associate director for data science. The consortium currently boasts more than a dozen member organizations, including national laboratories...

El Capitan testbed systems rank among top 200 of world’s most powerful computers

June 1, 2022 - 
As the U.S. welcomed the world’s first “true” exascale supercomputer, three predecessor machines for LLNL's future exascale system El Capitan managed to rank highly on the latest Top500 List of the world’s most powerful supercomputers. Despite being “testbed” machines for El Capitan, the National Nuclear Security Administration’s first exascale supercomputer, the three early access systems...

CASC team wins best paper at visualization symposium

May 25, 2022 - 
A research team from LLNL’s Center for Applied Scientific Computing won Best Paper at the 15th IEEE Pacific Visualization Symposium (PacificVis), which was held virtually on April 11–14. Computer scientists Harsh Bhatia, Peer-Timo Bremer, and Peter Lindstrom collaborated with University of Utah colleagues Duong Hoang, Nate Morrical, and Valerio Pascucci on “AMM: Adaptive Multilinear Meshes.”...