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...

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...

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 researchers win top award for machine learning-based approach to ICF experiments

Aug. 4, 2022 - 
The IEEE Nuclear and Plasma Sciences Society (NPSS) announced an LLNL team as the winner of its 2022 Transactions on Plasma Science Best Paper Award for their work applying machine learning to inertial confinement fusion (ICF) experiments. In the paper, lead author Kelli Humbird and co-authors propose a novel technique for calibrating ICF experiments by combining machine learning with...

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...

Defending U.S. critical infrastructure from nation-state cyberattacks

July 21, 2022 - 
For many years, LLNL has been conducting research on cybersecurity, as well as defending its systems and networks from cyberattacks. The Lab has developed an array of capabilities to detect and defend against cyberintruders targeting IT networks and worked with government agencies and private-sector partners to share its cybersecurity knowledge to the wider cyberdefense community. LLNL has...

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...

Assured and robust…or bust

June 30, 2022 - 
The consequences of a machine learning (ML) error that presents irrelevant advertisements to a group of social media users may seem relatively minor. However, this opacity, combined with the fact that ML systems are nascent and imperfect, makes trusting their accuracy difficult in mission-critical situations, such as recognizing life-or-death risks to military personnel or advancing materials...

UC Merced students work with LLNL mentors on potential new drugs to combat COVID-19

June 30, 2022 - 
Students from the University of California, Merced worked with mentors at LLNL to identify drug compounds that could be used to treat COVID-19 during a two-week Data Science Challenge (DSC) that concluded on June 6. For the first time in the DSC series since the COVID-19 pandemic began in 2020, Lab mentors visited the college campus to provide in-person guidance for five teams of UC Merced...

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...

Kevin McLoughlin applies computational biology to complex problems

May 17, 2022 - 
Kevin McLoughlin has always been fascinated by the intersection of computing and biology. His LLNL career encompasses award-winning microbial detection technology, a COVID-19 antiviral drug design pipeline, and work with the ATOM consortium. The appeal for him in these projects lies at the intersection of computing and biology. “I love finding ways to visualize data that reveal relationships...

NNSA and Cornelis Networks to collaborate on next-generation high-performance networking

May 4, 2022 - 
The Next-Generation High Performance Computing Network (NG-HPCN) project for the NNSA’s Advanced Simulation and Computing (ASC) program will enable NNSA to co-design and partner with Cornelis on development and productization of next-generation interconnect technologies for HPC. The project is led by LLNL for the NNSA Tri-Labs: LLNL, Los Alamos and Sandia national laboratories. The resulting...

Accelerating the path to precision medicine

March 22, 2022 - 
LLNL joined the Transforming Research and Clinical Knowledge in Traumatic Brain Injury (TRACK-TBI) consortium in 2018. The national, multiyear, multidisciplinary effort, led by the University of California at San Francisco in collaboration with Lawrence Berkeley and Argonne national laboratories and other leading research organizations and universities, combines neuroimaging, blood-based...

Paving the way to tailor-made carbon nanomaterials and more accurate energetic materials modeling

March 17, 2022 - 
To better understand how carbon nanomaterials could be tailor-made and how their formation impacts shock phenomena such as detonation, LLNL scientists conducted machine-learning-driven atomistic simulations to provide insight into the fundamental processes controlling the formation of nanocarbon materials, which could serve as a design tool, help guide experimental efforts and enable more...

Machine learning model finds COVID-19 risks for cancer patients

March 10, 2022 - 
A new study by researchers at LLNL and the University of California, San Francisco, looks to identify cancer-related risks for poor outcomes from COVID-19. Analyzing one of the largest databases of patients with cancer and COVID-19, the team found previously unreported links between a rare type of cancer—as well as two cancer treatment-related drugs—and an increased risk of hospitalization...