Data Science in the News

DSI Consulting Service spurs innovation

Today, research in nearly every scientific discipline involves data science techniques. Whether using sophisticated tools to manage and analyze massive datasets or applying machine learning algorithms to gain new insights, such techniques are becoming ever more prevalent. However, scientists and engineers may not have specific training in the newest, most pertinent data science and...

ICECap looks to use exascale fusion simulations to pioneer digital design

A groundbreaking multidisciplinary team of LLNL researchers is combining the power of exascale computing with AI, advanced workflows and graphics processor (GPU)-acceleration to advance scientific innovation and revolutionize digital design. The project, called ICECap (Inertial Confinement on El Capitan), is a transformative approach to inertial confinement fusion (ICF) design optimization...

Measuring failure risk and resiliency in AI/ML models

The widespread use of artificial intelligence (AI) and machine learning (ML) reveals not only the technology’s potential but also its pitfalls, such as how likely these models are to be inaccurate. AI/ML models can fail in unexpected ways even when not under attack, and they can fail in scenarios differently from how humans perform. Knowing when and why failure occurs can prevent costly...

Measuring attack vulnerability in AI/ML models

LLNL is advancing the safety of AI/ML models in materials design, bioresilience, cyber security, stockpile surveillance, and many other areas. A key line of inquiry is model robustness, or how well it defends against adversarial attacks. A paper accepted to the renowned 2024 International Conference on Machine Learning explores this issue in detail. In “Adversarial Robustness Limits via...

LLNL researchers unleash machine learning in designing advanced lattice structures

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

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...

Evaluating trust and safety of large language models

Accepted to the 2024 International Conference on Machine Learning, two Livermore papers examined trustworthiness—how a model uses data and makes decisions—of large language models, or LLMs. In “TrustLLM: Trustworthiness in Large Language Models,” Bhavya Kailkhura and collaborators from universities and research organizations around the world developed a comprehensive trustworthiness...

The Laboratory’s habit of innovation

LLNL’s HPC and data science capabilities play a significant role in international science research and innovation, and Lab researchers have won 10 R&D 100 Awards in the Software–Services category in the past decade. The latest issue of Science & Technology Review features several award-winning projects, including ZFP and CANDLE: (1) ZFP introduces a new method of compressing large data sets...

DOE, LLNL take center stage at inaugural AI expo

Held May 7–8 in Washington, DC, the Special Competitive Studies Project (SCSP) AI Expo showcased groundbreaking initiatives in AI and emerging technologies. Kim Budil and other Lab speakers presented at center stage and the DOE exhibition booth. LLNL is rapidly expanding research investments to build transformative AI-driven solutions to critical national security challenges. While developing...

Manufacturing optimized designs for high explosives

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

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

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

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

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

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...

LLNL’s Kailkhura elevated to IEEE senior member

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

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...

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

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

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

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...