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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...
GUIDE team develops approach to redesign antibodies against viral pandemics
May 8, 2024 -
In a groundbreaking development for addressing future viral pandemics, a multi-institutional team involving LLNL researchers has successfully combined an AI-backed platform with supercomputing to redesign and restore the effectiveness of antibodies whose ability to fight viruses has been compromised by viral evolution. The team’s research is published in the journal Nature and showcases a...
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...
WiDS Livermore conference attendees network, share research and absorb wisdom
March 27, 2024 -
Co-sponsored by the DSI, LLNL on March 13 hosted the 7th annual Women in Data Science (WiDS) conference for data scientists, industry professionals, recent graduates and others interested in the field. As an independent satellite of the global WiDS conference celebrating International Women’s Day, the Livermore hybrid event was held to highlight the work and careers of LLNL and regional data...
Register for WiDS Livermore on March 13
Feb. 8, 2024 -
The annual Women in Data Science (WiDS) conference returns on Wednesday, March 13. This is the seventh year for WiDS Livermore, which is independently organized by LLNL to be part of the mission to increase participation of women in data science and to feature outstanding women doing outstanding work. The all-day WiDS Livermore event is free and will be presented in a hybrid format. Everyone...
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...
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...
Young leaders learn from Nobel Laureates at Science and Technology in Society Forum
Oct. 24, 2023 -
Early-career staff scientists Kelli Humbird, Chris Young and Brian Giera (director of LLNL's Data Science Institute) connected with Nobel Laureates and discussed important global issues ranging from AI to climate change at the 20th annual meeting of the Science and Technology in Society (STS) Forum in Kyoto, Japan. Lab Director Kim Budil, Acting Chief of Staff Ashley Bahney and Strategic...
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...
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...
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...
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...
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...
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...
Meet new DSI director Brian Giera
April 24, 2023 -
In April 2023, Brian Giera was named the new director of the Data Science Institute (DSI). In this role, Giera, a materials and manufacturing researcher in LLNL’s Engineering Directorate, will oversee the DSI’s efforts to strengthen the Lab’s data science workforce pipeline, research directions, and community outreach.
“The DSI is a thriving organization, so I am excited for the impact we...