Data Science in the News

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'Self-trained' deep learning to improve disease diagnosis

March 4, 2021 - 
New work by computer scientists at LLNL and IBM Research on deep learning models to accurately diagnose diseases from X-ray images with less labeled data won the Best Paper award for Computer-Aided Diagnosis at the SPIE Medical Imaging Conference on February 19. The technique, which includes novel regularization and “self-training” strategies, addresses some well-known challenges in the...

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...

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...

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...

Advancing healthcare with data science (VIDEO)

Aug. 3, 2020 - 
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...

Machine learning model may perfect 3D nanoprinting

July 29, 2020 - 
Two-photon lithography (TPL)—a widely used 3D nanoprinting technique that uses laser light to create 3D objects—has shown promise in research applications but has yet to achieve widespread industry acceptance due to limitations on large-scale part production and time-intensive setup. LLNL scientists and collaborators turned to machine learning to address two key barriers to industrialization...

LLNL papers accepted into prestigious conference

July 9, 2020 - 
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.

Lockdown doesn’t hinder annual Data Science Challenge

June 26, 2020 - 
Due to the COVID-19 pandemic and shelter-in-place restrictions, this year’s Data Science Challenge with the University of California, Merced was an all-virtual offering. The two-week challenge involved 21 UC Merced students who worked from their homes through video conferencing and chat programs to develop machine learning models capable of differentiating potentially explosive materials from...

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

June 17, 2020 - 
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

May 29, 2020 - 
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 identifies change in microstructure in aging materials

May 26, 2020 - 
LLNL scientists have taken a step forward in the design of future materials with improved performance by analyzing its microstructure using AI. The work recently appeared online in the journal Computational Materials Science. Read more at LLNL News.

COVID-19 research goes public through new portal

May 18, 2020 - 
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...

Building knowledge and insights using machine learning of scientific articles

May 5, 2020 - 
Nanomaterials are widely used at LLNL and in industry for many applications from catalysis to optics to additive manufacturing. The combination of nanomaterials’ shape, size, and composition can impart unique optical, electrical, mechanical, or catalytic properties needed for a specific application. However, synthesizing a specific nanomaterial and scaling up its production is often...

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

May 1, 2020 - 
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

April 21, 2020 - 
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

March 30, 2020 - 
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...

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

March 26, 2020 - 
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...

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

March 26, 2020 - 
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.

Machine learning accelerates high-performance materials development

Feb. 13, 2020 - 
Lawrence Livermore National Laboratory (LLNL) and its partners rely on timely development and deployment of diverse materials to support a variety of national security missions. However, materials development and deployment can take many years from initial discovery of a new material to deployment at scale. Now, an interdisciplinary team of LLNL researchers from the Physical and Life Sciences...