Data Science in the News

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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...

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’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...

Data Science Summer Institute hosts student interns from Japan

Oct. 13, 2023 - 
The Data Science Summer Institute (DSSI) hosted summer student interns from Japan on-site for the first time, where the students worked with Lab mentors on real-world projects in AI-assisted bio-surveillance and automated 3D printing. From June to September, the three students—Raiki Yoshimura, Shinnosuke Sawano and Taisei Saida—lived in rental apartments near the Lab and worked at the Lab on...

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...

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 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...

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...

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...

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...

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 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...

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...