Data Science in the News

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...

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...

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...

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.

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...

New ML platform generates novel COVID-19 antibody sequences for experimental testing

LLNL researchers have identified an initial set of therapeutic antibody sequences, designed in a few weeks using machine learning and supercomputing, aimed at binding and neutralizing SARS-CoV-2, the virus that causes COVID-19. The research team is performing experimental testing on the chosen antibody designs. Read more at LLNL News.

Upgrades for LLNL supercomputer from AMD, Penguin Computing aid COVID-19 research

Under a new agreement, AMD will supply upgraded graphics accelerators for LLNL’s Corona supercomputing cluster, expected to nearly double the system’s peak compute power. The system will be used by scientists through the public/private COVID-19 HPC Consortium, and by LLNL researchers, who are working on discovering potential antibodies and anti-viral compounds for SARS-CoV-2, the virus that...

LLNL creates web resources to aid in fight against COVID-19

LLNL is fully committed to helping protect the U.S. from COVID-19 and to speed the recovery of those affected. As a world-class research institute, we have considerable infrastructure, unique research capabilities and a dedicated team of scientists and engineers supporting the fight against the COVID-19 pandemic. Our current COVID-19 research and response activities are focused on four broad...

New partnership to unleash U.S. supercomputing resources in the fight against COVID-19

The White House announced the launch of the COVID-19 High Performance Computing Consortium to provide COVID-19 researchers worldwide with access to the world’s most powerful high performance computing resources that can significantly advance the pace of scientific discovery in the fight to stop the virus. Read more at LLNL News.

Lab antibody, anti-viral research aids COVID-19 response

LLNL scientists are contributing to the global fight against COVID-19 by combining artificial intelligence/machine learning, bioinformatics and supercomputing to help discover candidates for new antibodies and pharmaceutical drugs to combat the disease. Armed with the virus’ predicted 3D structure and a few antibodies known to bind and neutralize SARS, an LLNL team led by Daniel Faissol and...

Department of Energy researchers share data management strategies at first-ever “Data Day”

It’s become something of a mantra of the digital age: Data is the new currency. Especially in science, where it’s hard to find a single project that doesn’t involve generating or consuming massive amounts of data. In light of the growing awareness of the critical importance of data management across the Department of Energy complex, more than 100 researchers from DOE national laboratories...

Lab leads effort to model proteins tied to cancer

Computational scientists, biophysicists and statisticians from LLNL and Los Alamos National Laboratory(LANL) are leading a massive multi-institutional collaboration that has developed a machine learning-based simulation for next-generation supercomputers capable of modeling protein interactions and mutations that play a role in many forms of cancer. Read more at LLNL News.

Successful simulation and visualization coupling proves the power of Sierra

As the first National Nuclear Security Administration (NNSA) production supercomputer backed by GPU- (graphics processing unit) accelerated architecture, Sierra’s acquisition required a fundamental shift in how scientists at Lawrence Livermore National Laboratory (LLNL) program their codes to take advantage of the GPUs. The majority of Sierra’s computational power—95 percent of its 125...

LLNL Center for Applied Scientific Computing: accelerating scientific discovery (VIDEO)

The Center for Applied Scientific Computing (CASC) serves as LLNL’s window to the broader computer science, computational physics, applied mathematics, and data science research communities. Major thrust areas in CASC research include: (1) Increasing simulation fidelity by integrating multi-physics and multi-scale models, increasing resolution through advanced numerical methods and more...

NFL comes to Lab to hear latest on TBI research

Officials from the National Football League visited LLNL to hear how the Department of Energy’s national laboratories are using high-performance computing and artificial intelligence to advance scientific understanding of traumatic brain injury (TBI). Read more at LLNL News.

Multi-institutional meeting centers on making the 'impossible' possible in cancer research

Computer scientists, biomedical engineers, cancer biologists and bioinformaticians from eight Department of Energy national laboratories, health-related government agencies and universities converged at LLNL March 6-7 to discuss ongoing efforts to advance cancer research through computation, identify existing challenges and brainstorm future multidisciplinary projects. Read more at LLNL News...