Data Science in the News

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Novel deep learning framework for symbolic regression

March 18, 2021 - 
LLNL computer scientists have developed a new framework and an accompanying visualization tool that leverages deep reinforcement learning for symbolic regression problems, outperforming baseline methods on benchmark problems. The paper was recently accepted as an oral presentation at the International Conference on Learning Representations (ICLR 2021), one of the top machine learning...

Lab event encourages growth of women in data science

March 17, 2021 - 
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...

'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...

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...

Lawrence Livermore computer scientist heads award-winning computer vision research

Jan. 8, 2021 - 
The 2021 IEEE Winter Conference on Applications of Computer Vision (WACV 2021) on Wednesday announced that a paper co-authored by LLNL computer scientist Rushil Anirudh received the conference’s Best Paper Honorable Mention award based on its potential impact to the field. The paper, titled "Generative Patch Priors for Practical Compressive Image Recovery,” introduces a new kind of prior—a...

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...

Using models, 3D printing to study common heart defect

Aug. 10, 2020 - 
One of the most common congenital heart defects, coarctation of the aorta (CoA) is a narrowing of the main artery transporting blood from the heart to the rest of the body. It affects more than 1,600 newborns each year in the United States, and can lead to health issues such as hypertension, premature coronary artery disease, aneurysms, stroke and cardiac failure. To better understand risk...

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...

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...

Interpretable AI in healthcare (PODCAST)

May 17, 2020 - 
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.

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...