Data Science in the News

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...

LLNL joins Human Vaccines Project to accelerate vaccine development and understanding of immune response

LLNL has joined the international Human Vaccines Project (HVP), bringing Lab expertise and computing resources to the consortium to aid development of a universal coronavirus vaccine and improve understanding of immune response. The HVP is a nonprofit, public-private partnership with a mission to decode the human immune system and accelerate the development of vaccines and immunotherapies...

Tackling the COVID-19 pandemic

To help the U.S. fight the COVID-19 pandemic, LLNL did what it does best: quickly bring together interdisciplinary teams and diverse technologies to address urgent national challenges. This effort includes applying advanced high-performance computing resources to biological research and anayzing complicated computer models and enormous datasets. Read more in Science & Technology Review.

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...

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...

COVID-19 HPC Consortium reflects on past year

COVID-19 HPC Consortium scientists and stakeholders met virtually on March 23 to mark the consortium’s one-year anniversary, discussing the progress of research projects and the need to pursue a broader organization to mobilize supercomputing access for future crises. The White House announced the launch of the public-private consortium, which provides COVID-19 researchers with free access to...

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...

Model for COVID-19 drug discovery a Gordon Bell finalist

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...

What put LLNL at the center of U.S. supercomputing in 2020?

The HPC world is waiting for the next series of transitions to far larger machines with exascale capabilities. By this time next year, the bi-annual ranking of the Top500 most powerful systems will be refreshed at the top as Frontier, El Capitan, Aurora, and other DOE systems come online. While LLNL was already planning around AI acceleration for its cognitive simulation aims and had a number...

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...

AI gets a boost via LLNL, SambaNova collaboration

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, ANL and GSK provide early glimpse into Cerebras AI system performance

AI chip and systems startup Cerebras was one of many AI companies showcased at the AI Hardware Summit which concluded last week. Cerebras invited collaborators from LLNL, Argonne National Laboratory, and GlaxoSmithKline to talk about their early work on Cerebras machines and future plans. Livermore Computing's CTO Bronis de Supinski said, “We have this vision for performing cognitive...

Machine learning speeds up and enhances physics calculations

Interpreting data from NIF’s cutting-edge high energy density science experiments relies on physics calculations that are so complex they can challenge LLNL supercomputers, which stand among the best in the world. A collaboration between LLNL and French researchers found a novel way to incorporate machine learning and neural networks to significantly speed up inertial confinement fusion...

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...

DL-based surrogate models outperform simulators and could hasten scientific discoveries

Surrogate models supported by neural networks can perform as well, and in some ways better, than computationally expensive simulators and could lead to new insights in complicated physics problems such as inertial confinement fusion (ICF), LLNL scientists reported. 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...

AI hardware for future HPC systems (VIDEO)

This interview with Brian Spears, who leads cognitive simulations at LLNL, covers the current state of evaluation of AI chips and how those will mesh with existing and future HPC systems. Watch on YouTube.

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...