Data Science in the News

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DOE honors seven early-career Lab scientists

Sept. 19, 2024 - 
Seven LLNL scientists are recipients of the DOE's Office of Science Early Career Research Program (ECRP) award. Among them is Shusen Liu, a computer scientist in the Machine Intelligence Group in the Center for Applied Scientific Computing. His work focuses on understanding and interpreting the inner mechanisms of neural networks and integrating human domain knowledge with machine...

LLNL researchers unleash machine learning in designing advanced lattice structures

Aug. 22, 2024 - 
Characterized by their intricate patterns and hierarchical designs, lattice structures hold immense potential for revolutionizing industries ranging from aerospace to biomedical engineering, due to their versatility and customizability. However, the complexity of these structures and the vast design space they encompass have posed significant hurdles for engineers and scientists, and...

Data Science Challenge sees summer surge

Aug. 14, 2024 - 
Lawrence Livermore welcomed students from four institutions for this year’s Data Science Challenge (DSC) internship program. Hosted by the DSI, the DSC gives undergraduate and graduate students a taste of the multidisciplinary research performed at national laboratories. In addition to UC Merced and UC Riverside, participants hailed from two new partnering institutions: Case Western Reserve...

Manufacturing optimized designs for high explosives

May 13, 2024 - 
When materials are subjected to extreme environments, they face the risk of mixing together. This mixing may result in hydrodynamic instabilities, yielding undesirable side effects. Such instabilities present a grand challenge across multiple disciplines, especially in astrophysics, combustion, and shaped charges—a device used to focus the energy of a detonating explosive, thereby creating a...

Accelerating material characterization: Machine learning meets X-ray absorption spectroscopy

May 10, 2024 - 
LLNL scientists have developed a new approach that can rapidly predict the structure and chemical composition of heterogeneous materials. In a new study in ACS Chemistry of Materials, Wonseok Jeong and Tuan Anh Pham developed a new approach that combines machine learning with X-ray absorption spectroscopy (XANES) to elucidate the chemical speciation of amorphous carbon nitrides. The research...

Welcome new DSI team members

April 2, 2024 - 
When Data Science Institute (DSI) director Brian Giera and deputy director Cindy Gonzales began planning activities for fiscal year 2024 and beyond, they immediately realized that LLNL’s growth in data science and artificial intelligence (AI)/machine learning (ML) research requires corresponding growth in the DSI’s efforts. “Our field is booming,” Giera states. “The Lab has a stake in the...

Will it bend? Reinforcement learning optimizes metamaterials

Dec. 13, 2023 - 
Lawrence Livermore staff scientist Xiaoxing Xia collaborated with the Technical University of Denmark to integrate machine learning (ML) and 3D printing techniques. The effort naturally follows Xia’s PhD work in materials science at the California Institute of Technology, where he investigated electrochemically reconfigurable structures. In a paper published in the Journal of Materials...

Conference paper illuminates neural image compression

Dec. 8, 2023 - 
An enduring question in machine learning (ML) concerns performance: How do we know if a model produces reliable results? The best models have explainable logic and can withstand data perturbations, but performance analysis tools and datasets that will help researchers meaningfully evaluate these models are scarce. A team from LLNL’s Center for Applied Scientific Computing (CASC) is teasing...

For better CT images, new deep learning tool helps fill in the blanks

Nov. 17, 2023 - 
At a hospital, an airport, or even an assembly line, computed tomography (CT) allows us to investigate the otherwise inaccessible interiors of objects without laying a finger on them. To perform CT, x-rays first shine through an object, interacting with the different materials and structures inside. Then, the x-rays emerge on the other side, casting a projection of their interactions onto a...

LLNL, University of California partner for AI-driven additive manufacturing research

Sept. 27, 2023 - 
Grace Gu, a faculty member in mechanical engineering at UC Berkeley, has been selected as the inaugural recipient of the LLNL Early Career UC Faculty Initiative. The initiative is a joint endeavor between LLNL’s Strategic Deterrence Principal Directorate and UC national laboratories at the University of California Office of the President, seeking to foster long-term academic partnerships and...

Heart smart: Future engineers tackle real-world cardiology concerns at LLNL's Data Science Challenge

Aug. 30, 2023 - 
It’s a quick and pain-free way to test for heart problems. That’s why the electrocardiogram is so often used by doctors—with just a few electrodes and wires, the heart’s electrical activity can be measured and interpreted to identify irregularities and disease. But while it is a highly useful and commonly used diagnostic tool, there are limits to the types of information an electrocardiogram...

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...

Data Science Challenge offers students learning and growth opportunities

July 24, 2023 - 
About 20 UC Merced students spent the past two weeks working at LLNL to see if they can solve a problem that could have a significant impact on cardiology. The annual Data Science Challenge (DSC), a two-week, full-time internship at LLNL, this year teamed students from Merced and UC Riverside. They attempted to see if machine learning could address a gap in the information provided by the...

Celebrating the DSI’s first five years

May 18, 2023 - 
View the LLNL Flickr album Data Science Institute Turns Five. Data science—a field combining technical disciplines such as computer science, statistics, mathematics, software development, domain science, and more—has become a crucial part of how LLNL carries out its mission. Since the DSI’s founding in 2018, the Lab has seen tremendous growth in its data science community and has invested...

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...

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...

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...