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...

DOE honors seven early-career Lab scientists

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

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...

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...

Signal and image science community comes together for annual workshop

Nearly 150 members of the signal and image science community recently came together to discuss the latest advances in the field and connect with colleagues, friends, and potential collaborators at the 28th annual Center for Advanced Signal and Image Science (CASIS) workshop. The event featured more than 50 technical contributions across six workshop tracks and a parallel tutorials session...

LLNL and BridgeBio announce trials for supercomputing-discovered cancer drug

In a substantial milestone for supercomputing-aided drug design, LLNL and BridgeBio Oncology Therapeutics (BridgeBio) today announced clinical trials have begun for a first-in-class medication that targets specific genetic mutations implicated in many types of cancer. The development of the new drug—BBO-8520—is the result of collaboration among LLNL, BridgeBio and the National Cancer...

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...

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...

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...

Conference paper illuminates neural image compression

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...

Data Days brings DOE labs together for discussions on data management and more

Data researchers, developers, data managers, and program managers from the DOE national laboratories visited LLNL on October 24–26 to discuss the latest in data management, sharing, and accessibility at the 2023 DOE Data Days (D3) workshop. Sponsored by the National Nuclear Security Administration’s (NNSA) Office of Defense Nuclear Nonproliferation and hosted annually by LLNL, the event...

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...

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...

High-performance computing, AI and cognitive simulation helped LLNL conquer fusion ignition

For hundreds of LLNL scientists on the design, experimental, and modeling and simulation teams behind inertial confinement fusion (ICF) experiments at the National Ignition Facility, the results of the now-famous Dec. 5, 2022, ignition shot didn’t come as a complete surprise. The “crystal ball” that gave them increased pre-shot confidence in a breakthrough involved a combination of detailed...