Data Science in the News

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Machine learning aids in materials design

June 10, 2021 - 
A long-held goal by chemists across many industries is to imagine the chemical structure of a new molecule and be able to predict how it will function for a desired application. In practice, this vision is difficult, often requiring extensive laboratory work to synthesize, isolate, purify, and characterize newly designed molecules to obtain the desired information. Recently, a team of LLNL...

Lab postdocs invited to prestigious Heidelberg Forum

May 21, 2021 - 
Two LLNL postdoctoral researchers are among a select group of 200 scientists invited to attend the 8th Heidelberg Laureate Forum, an international conference that connects young researchers with laureates of the major prizes in mathematics and computer science. For a week in September, LLNL computational engineering postdocs Ruben Glatt and Felipe Leno da Silva will meet and interact with...

The data-driven future of extreme physics

May 19, 2021 - 
By applying modern machine learning and data science methods to “extreme” plasma physics, researchers can gain insight into our universe and find clues about creating a limitless amount of energy. In a recent perspective published in Nature, LLNL scientists and international collaborators outline key challenges and future directions in using machine learning and other data-driven techniques...

Conference papers highlight importance of data security to machine learning

May 12, 2021 - 
The 2021 Conference on Computer Vision and Pattern Recognition, the premier conference of its kind, will feature two papers co-authored by an LLNL researcher targeted at improving the understanding of robust machine learning models. Both papers include contributions from LLNL computer scientist Bhavya Kailkhura and examine the importance of data in building models, part of a Lab effort to...

A winning strategy for deep neural networks

April 29, 2021 - 
LLNL continues to make an impact at top machine learning conferences, even as much of the research staff works remotely during the COVID-19 pandemic. Postdoctoral researcher James Diffenderfer and computer scientist Bhavya Kailkhura, both from LLNL’s Center for Applied Scientific Computing, are co-authors on a paper—“Multi-Prize Lottery Ticket Hypothesis: Finding Accurate Binary Neural...

Lab offers forum on machine learning for industry

April 22, 2021 - 
LLNL is looking for participants and attendees from industry, research institutions and academia for the first-ever Machine Learning for Industry Forum (ML4I), a three-day virtual event starting Aug. 10. The event is sponsored by LLNL’s High Performance Computing Innovation Center and the Data Science Institute. The deadline for submitting presentations or industry use cases is June 30. The...

Virtual seminar series explores data-driven physical simulations

April 6, 2021 - 
The rapidly growing fields of artificial intelligence (AI) and machine learning (ML) have become cornerstones of LLNL’s data science research activities. The Lab’s scientific community regularly publishes advancements in both AI/ML applications and theory, contributing to international discourse on the possibilities of these compelling technologies. The large volume of AI/ML scientific...

Winter hackathon highlights data science talks and tutorial

March 24, 2021 - 
The Data Science Institute (DSI) sponsored LLNL’s 27th hackathon on February 11–12. Held four times a year, these seasonal events bring the computing community together for a 24-hour period where anything goes: Participants can focus on special projects, learn new programming languages, develop skills, dig into challenging tasks, and more. The winter hackathon was the DSI’s second such...

Ana Kupresanin featured in FOE alumni spotlight

March 10, 2021 - 
LLNL's Ana Kupresanin, deputy director of the Center for Applied Scientific Computing and member of the Data Science Institute council, was recently featured in a Frontiers of Engineering (FOE) alumni spotlight. Kupresanin develops statistical and machine learning models that incorporate real-world variability and probabilistic behavior to quantify uncertainties in engineering and physics...

Lab researchers explore ‘learn-by-calibration’ approach to deep learning to accurately emulate scientific process

Feb. 10, 2021 - 
An LLNL team has developed a “Learn-by-Calibrating” method for creating powerful scientific emulators that could be used as proxies for far more computationally intensive simulators. Researchers found the approach results in high-quality predictive models that are closer to real-world data and better calibrated than previous state-of-the-art methods. The LbC approach is based on interval...

CASC research in machine learning robustness debuts at AAAI conference

Feb. 10, 2021 - 
LLNL’s Center for Applied Scientific Computing (CASC) has steadily grown its reputation in the artificial intelligence (AI)/machine learning (ML) community—a trend continued by three papers accepted at the 35th AAAI Conference on Artificial Intelligence, held virtually on February 2–9, 2021. Computer scientists Jayaraman Thiagarajan, Rushil Anirudh, Bhavya Kailkhura, and Peer-Timo Bremer led...

LLNL physicist wins Young Former Student award

Dec. 16, 2020 - 
Texas A&M University’s Department of Nuclear Engineering on December 10 announced it has honored LLNL physicist Kelli Humbird with its 2020-21 Young Former Student award for her work at LLNL in combining machine learning with inertial confinement fusion (ICF) research. Humbird graduated from Texas A&M with a PhD in nuclear engineering in 2019. Since joining the Laboratory as an intern in 2016...

Data Science Institute collaborates with Livermore Lab Foundation and UC Merced to host two year-long fellowships

Dec. 16, 2020 - 
Early this spring, the Livermore Lab Foundation (LLF) in partnership with the UC Merced, awarded two rising seniors, Jose Garcia-Esparza and Teagan Zuniga, two one-year $15,000 fellowships to participate in the Lab’s Data Science Summer Institute (DSSI) and continue a part-time fellowship at the Lab for the remainder of the 2020–21 school year. The fellowships allow deserving students...

After successful virtual summer, DSSI looks ahead to 2021

Dec. 14, 2020 - 
In a year distinguished by the COVID-19 pandemic, LLNL’s Data Science Summer Institute (DSSI) pivoted quickly to an all-virtual program. The 28 students in the class of 2020 worked from their homes and attended online seminars, one-on-one mentoring sessions, team-building games, and other activities. Instead of an in-person poster session, the students participated in a virtual Summer Slam...

NeurIPS papers aim to improve understanding and robustness of machine learning algorithms

Dec. 7, 2020 - 
The 34th Conference on Neural Information Processing Systems (NeurIPS) is featuring two papers advancing the reliability of deep learning for mission-critical applications at LLNL. The most prestigious machine learning conference in the world, NeurIPS began virtually on Dec. 6. The first paper describes a framework for understanding the effect of properties of training data on the...

Model for COVID-19 drug discovery a Gordon Bell finalist

Nov. 17, 2020 - 
A machine learning model developed by a team of LLNL scientists to aid in COVID-19 drug discovery efforts is a finalist for the Gordon Bell Special Prize for High Performance Computing-Based COVID-19 Research. Using Sierra, the world’s third fastest supercomputer, LLNL scientists produced a more accurate and efficient generative model to enable COVID-19 researchers to produce novel compounds...

DOE announces five new energy projects at LLNL

Nov. 13, 2020 - 
The DOE today announced two rounds of awards for the High Performance Computing for Energy Innovation Program HPC4EI), including five projects at LLNL. HPC4EI connects industry with the computational resources and expertise of the DOE national laboratories to solve challenges in manufacturing, accelerate discovery and adoption of new materials and improve energy efficiency. The awards were...

From intern to mentor, Nisha Mulakken builds a career in bioinformatics

Nov. 3, 2020 - 
The COVID-19 pandemic has sparked a wave of new research and development at the Lab, and Nisha Mulakken is very busy. The biostatistician has enhanced the Lawrence Livermore Microbial Detection Array (LLMDA) system with detection capability for all variants of SARS-CoV-2. The technology detects a broad range of organisms—viruses, bacteria, archaea, protozoa, and fungi—and has demonstrated...

AI gets a boost via LLNL, SambaNova collaboration

Oct. 20, 2020 - 
LLNL has installed a state-of-the-art artificial intelligence (AI) accelerator from SambaNova Systems, the National Nuclear Security Administration (NNSA) announced today, allowing researchers to more effectively combine AI and machine learning (ML) with complex scientific workloads. LLNL has begun integrating the new AI hardware, SambaNova Systems DataScale™, into the NNSA’s Corona...

LLNL to provide supercomputing resources to universities selected by NNSA Advanced Simulation and Computing program

Oct. 2, 2020 - 
LLNL will provide significant computing resources to students and faculty from nine universities that were newly selected for participation in the National Nuclear Security Administration (NNSA)’s Predictive Science Academic Alliance Program (PSAAP). The program is funded by NNSA’s Office of Advanced Simulation and Computing (ASC) program. The primary focus of this third phrase of PSAAP will...