Data Science in the News

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LLNL’s Kailkhura elevated to IEEE senior member

Nov. 8, 2023 - 
IEEE, the world’s largest technical professional organization, has elevated LLNL research staff member Bhavya Kailkhura to the grade of senior member within the organization. IEEE has more than 427,000 members in more than 190 countries, including engineers, scientists and allied professionals in the electrical and computer sciences, engineering and related disciplines. Just 10% of IEEE’s...

Making machine learning safer for biomedicine

Aug. 15, 2023 - 
It’s hard to understate the impact machine learning will have on biomedicine. The ability to train computers to spot patterns by analyzing large, complex datasets is driving discoveries in heart disease, cancer, neurodegenerative diseases and more. For instance, Argonne National Laboratory (ANL) has used machine learning to aid cancer research and accelerate COVID-19 antiviral discovery. One...

UC Merced & UC Riverside tackle Data Science Challenge on ML-assisted heart modeling

Aug. 3, 2023 - 
For the first time, students from the University of California (UC) Merced and UC Riverside joined forces for the two-week Data Science Challenge (DSC) at LLNL, tackling a real-world problem in machine learning (ML)-assisted heart modeling. Held in the Livermore Valley Open Campus’s newly remodeled University of California Livermore Collaboration Center from July 10-21, the event brought...

Explainable artificial intelligence can enhance scientific workflows

July 25, 2023 - 
As ML and AI tools become more widespread, a team of researchers in LLNL’s Computing and Physical and Life Sciences directorates are trying to provide a reasonable starting place for scientists who want to apply ML/AI, but don’t have the appropriate background. The team’s work grew out of a Laboratory Directed Research and Development project on feedstock materials optimization, which led to...

Machine learning reveals refreshing understanding of confined water

July 24, 2023 - 
LLNL scientists combined large-scale molecular dynamics simulations with machine learning interatomic potentials derived from first-principles calculations to examine the hydrogen bonding of water confined in carbon nanotubes (CNTs). They found that the narrower the diameter of the CNT, the more the water structure is affected in a highly complex and nonlinear fashion. The research appears on...

Consulting service infuses Lab projects with data science expertise

June 5, 2023 - 
A key advantage of LLNL’s culture of multidisciplinary teamwork is that domain scientists don’t need to be experts in everything. Physicists, chemists, biologists, materials engineers, climate scientists, computer scientists, and other researchers regularly work alongside specialists in other fields to tackle challenging problems. The rise of Big Data across the Lab has led to a demand for...

Data science meets fusion (VIDEO)

May 30, 2023 - 
LLNL’s historic fusion ignition achievement on December 5, 2022, was the first experiment to ever achieve net energy gain from nuclear fusion. However, the experiment’s result was not actually that surprising. A team leveraging data science techniques developed and used a landmark system for teaching artificial intelligence (AI) to incorporate and better account for different variables and...

Patent applies machine learning to industrial control systems

May 8, 2023 - 
An industrial control system (ICS) is an automated network of devices that make up a complex industrial process. For example, a large-scale electrical grid may contain thousands of instruments, sensors, and controls that transfer and distribute power, along with computing systems that capture data transmitted across these devices. Monitoring the ICS network for new device connections, device...

Fueling up hydrogen production

April 3, 2023 - 
Through machine learning, an LLNL scientist has a better grasp of understanding materials used to produce hydrogen fuel. The interaction of water with TiO2 (titanium oxide) surfaces is especially important in various scientific fields and applications, from photocatalysis for hydrogen production to photooxidation of organic pollutants to self-cleaning surfaces and biomedical devices. However...

Scientists develop model for more efficient simulations of protein interactions linked to cancer

March 28, 2023 - 
LLNL scientists have developed a theoretical model for more efficient molecular-level simulations of cell membranes and their lipid-protein interactions, part of a multi-institutional effort to better understand the behavior of cancer-causing membrane proteins. Developed under an ongoing collaboration by the Department of Energy and the National Cancer Institute (NCI) aimed at modeling cell...

From plasma to digital twins

March 13, 2023 - 
LLNL's Nondestructive Evaluation (NDE) group has an array of techniques at its disposal for inspecting objects’ interiors without disturbing them: computed tomography, optical laser interferometry, and ultrasound, for example, can be used alone or in combination to gauge whether a component’s physical and material properties fall within allowed tolerances. In one project, the team of NDE...

New HPC4EI project to create 'digital twin' models for aerospace manufacturing

Jan. 19, 2023 - 
A partnership involving LLNL aimed at developing “digital twins” for producing aerospace components is one of six new projects funded under the HPC for Energy Innovation (HPC4EI) initiative, the Department of Energy’s Office of Energy Efficiency and Renewable Energy announced. Sponsored by the HPC4Manufacturing (HPC4Mfg) Program, one of the pillars of HPC4EI, the collaboration between LLNL...

Cognitive simulation supercharges scientific research

Jan. 10, 2023 - 
Computer modeling has been essential to scientific research for more than half a century—since the advent of computers sufficiently powerful to handle modeling’s computational load. Models simulate natural phenomena to aid scientists in understanding their underlying principles. Yet, while the most complex models running on supercomputers may contain millions of lines of code and generate...

Supercomputing’s critical role in the fusion ignition breakthrough

Dec. 21, 2022 - 
On December 5th, the research team at LLNL's National Ignition Facility (NIF) achieved a historic win in energy science: for the first time ever, more energy was produced by an artificial fusion reaction than was consumed—3.15 megajoules produced versus 2.05 megajoules in laser energy to cause the reaction. High-performance computing was key to this breakthrough (called ignition), and HPCwire...

National Ignition Facility achieves fusion ignition

Dec. 13, 2022 - 
The U.S. Department of Energy (DOE) and DOE’s National Nuclear Security Administration (NNSA) today announced the achievement of fusion ignition at LLNL—a major scientific breakthrough decades in the making that will pave the way for advancements in national defense and the future of clean power. On Dec. 5, a team at LLNL’s National Ignition Facility (NIF) conducted the first controlled...

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 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...

Hackathon puts machine learning in the driver’s seat

Nov. 1, 2022 - 
After 10 years, the “try something new” spirit of LLNL Computing’s seasonal hackathon is alive and well. The fall 2022 event featured an Amazon Web Services (AWS) DeepRacer machine learning (ML) competition, in which participants used a cloud-based racing simulator to train an autonomous race car with reinforcement learning algorithms. Working in teams or individually, drivers trained their...

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...

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...