Data Science in the News

Machine learning model finds COVID-19 risks for cancer patients

A new study by researchers at LLNL and the University of California, San Francisco, looks to identify cancer-related risks for poor outcomes from COVID-19. Analyzing one of the largest databases of patients with cancer and COVID-19, the team found previously unreported links between a rare type of cancer—as well as two cancer treatment-related drugs—and an increased risk of hospitalization...

Winter hackathon meets WiDS datathon

Sponsored by the DSI, LLNL’s winter hackathon took place on February 16–17. Hackathons are 24-hour events that encourage collaborative programming and creative problem solving. In addition to traditional hacking, the hackathon included a special datathon competition in anticipation of the Women in Data Science (WiDS) conference on March 7. Hackathon and datathon participants presented their...

WiDS Livermore returns on March 7

We are hosting our 5th WiDS Livermore regional event to encourage our community of women in computing. We will watch the WiDS Stanford Livestream as well as feature Lab-focused technical talks, mentoring breakout sessions, and a career panel. WiDS Livermore is an independent event hosted by LLNL Ambassadors as part of the annual Women in Data Science (WiDS) Worldwide conference organized by...

COVID-19 R&D: Computing responds to pandemic

When the COVID-19 pandemic began, the Laboratory immediately started seeking solutions to the myriad challenges posed by the global crisis. The Computing Directorate jumped right in with research and development activities that combine molecular screening to inform antiviral drug experimentation; a generative molecular design software platform to optimize properties of antiviral drugs; an...

Unprecedented multiscale model of protein behavior linked to cancer-causing mutations

LLNL researchers and a multi-institutional team have developed a highly detailed, machine learning–backed multiscale model revealing the importance of lipids to the signaling dynamics of RAS, a family of proteins whose mutations are linked to numerous cancers. Published by the Proceedings of the National Academy of Sciences, the paper details the methodology behind the Multiscale Machine...

LLNL establishes AI Innovation Incubator to advance artificial intelligence for applied science

LLNL has established the AI Innovation Incubator (AI3), a collaborative hub aimed at uniting experts in artificial intelligence (AI) from LLNL, industry and academia to advance AI for large-scale scientific and commercial applications. LLNL has entered into a new memoranda of understanding with Google, IBM and NVIDIA, with plans to use the incubator to facilitate discussions and form future...

Building confidence in materials modeling using statistics

LLNL statisticians, computational modelers, and materials scientists have been developing a statistical framework for researchers to better assess the relationship between model uncertainties and experimental data. The Livermore-developed statistical framework is intended to assess sources of uncertainty in strength model input, recommend new experiments to reduce those sources of uncertainty...

Visualization software stands the test of time

In the decades since LLNL’s founding, the technology used in pursuit of the Laboratory’s national security mission has changed over time. For example, studying scientific phenomena and predicting their behaviors require increasingly robust, high-resolution simulations. These crucial tasks compound the demands on high-performance computing hardware and software, which must continually be...

60 years of cancer research

From studying radioactive isotope effects to better understanding cancer metastasis, the Laboratory’s relationship with cancer research endures some 60 years after it began, with historical precedent underpinning exciting new research areas. In one Cancer Moonshot project, research includes a close synergy between experiments and computation, allowing scientists to get a better picture of the...

Career panel series kicks off with women in Computing leadership roles

More than 100 LLNL staff and students gathered virtually for the first session of a new career panel series inspired by the annual WiDS conference and sponsored by the DSI. Panelists discussed how they have shaped their careers at the Lab and in Computing, their journeys into leadership roles, and how they navigate career challenges. Data scientist and panel series organizer Cindy Gonzales...

COVID-19 detection and analysis with Nisha Mulakken (VIDEO)

LLNL biostatistician Nisha Mulakken 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 novel species identification for human health, animal health, biodefense, and environmental sampling...

Lab event encourages growth of women in data science

Coinciding with International Women’s Day on March 8, LLNL’s 4th Women in Data Science (WiDS) regional event brought women together to discuss successes, opportunities and challenges of being female in a mostly male field. The Lab’s first-ever virtual WiDS gathering attracted dozens of LLNL data scientists as well as some from outside the Lab, and featured speakers, a career panel and...

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

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

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...

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

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...

Advancing healthcare with data science (VIDEO)

This video provides an overview of projects in which data scientists work with domain scientists to address major challenges in healthcare. To help fight the COVID-19 pandemic, researchers are developing computer models to search for potential antibody and antiviral drug treatments, sharing a data portal with scientists and the general public, and analyzing drug compounds via a novel text...

LLNL papers accepted into prestigious conference

Two papers featuring LLNL scientists were accepted in the 2020 International Conference on Machine Learning (ICML), one of the world’s premier conferences of its kind. Read more at LLNL News.

Lab team studies calibrated AI and deep learning models to more reliably diagnose and treat disease

A team led by LLNL computer scientist Jay Thiagarajan has developed a new approach for improving the reliability of artificial intelligence and deep learning-based models used for critical applications, such as health care. Thiagarajan recently applied the method to study chest X-ray images of patients diagnosed with COVID-19, arising due to the novel SARS-Cov-2 coronavirus. Read more at LLNL...

COVID-19 research goes public through new portal

A new online data portal is making available to the public a wealth of data LLNL scientists have gathered from their ongoing COVID-19 molecular design projects, particularly the computer-based “virtual” screening of small molecules and designed antibodies for interactions with the SARS-CoV-2 virus for drug design purposes. The portal houses a wealth of data LLNL scientists have gathered from...

Interpretable AI in healthcare (PODCAST)

LLNL's Jay Thiagarajan joins the Data Skeptic podcast to discuss his recent paper "Calibrating Healthcare AI: Towards Reliable and Interpretable Deep Predictive Models." The episode runs 35:50. Listen at Data Skeptic.