High Performance Computing

High performance computing (HPC) encompasses a broad range of advanced computing capabilities, from single GPUs to the world’s largest supercomputers. From enabling simulation of intricate biological processes to providing real-time feedback in surgical settings and advancing machine learning applications—to name a few—HPC helps researchers explore new frontiers in medicine.
 
At the Duke Center for Computational and Digital Health Innovation, HPC serves as a foundational technology for enabling groundbreaking research and discoveries in medicine. Through state-of-the-art supercomputing resources, we unlock the potential to solve complex biological challenges and drive transformative discoveries.
 
As technology progresses, the Center continues to leverage HPC to find, track, and treat medical conditions, setting the stage for innovative and effective healthcare solutions.

How Do We Use High Performance Computing?

High performance computing is a transformative tool at the Center for Computational and Digital Health Innovation. Our researchers are driving significant advancements in medical research and clinical practice through it. A few examples follow.

Real-Time Computing for Neural Speech Prostheses

The collaborative efforts between the Viventi and Cogan Labs focus on developing advanced neural interfaces and real-time computing solutions to restore communication for patients with neurodegenerative diseases. These patients often lose the ability to speak, severely impacting their quality of life. The team addresses this challenge by utilizing high-resolution, micro-electrocorticographic (µECoG) neural recordings to capture detailed brain activity during speech production. This novel approach provides neural signals with significantly higher spatial resolution and signal-to-noise ratio compared to standard invasive recordings, resulting in nearly double the decoding accuracy.

The use of advanced computing techniques, including non-linear decoding models, leverages the rich spatio-temporal structure of these neural signals to enhance speech decoding. The real-time aspect of this research is crucial, as it enables the development of neural speech prostheses that can operate in real-time, allowing for immediate feedback and communication. Additionally, the project addresses the unique challenges of deploying these systems in environments without reliable Wi-Fi connectivity, ensuring that the technology can be used effectively in various settings. The interdisciplinary collaboration between the medical and engineering schools at Duke enhances the development and application of these cutting-edge technologies, providing new hope for patients with speech impairments.

Real-Time Computing for Neural Speech Prostheses

The collaborative efforts between the Viventi and Cogan Labs focus on developing advanced neural interfaces and real-time computing solutions to restore communication for patients with neurodegenerative diseases. These patients often lose the ability to speak, severely impacting their quality of life.

The team addresses this challenge by utilizing high-resolution, micro-electrocorticographic (µECoG) neural recordings to capture detailed brain activity during speech production. This novel approach provides neural signals with significantly higher spatial resolution and signal-to-noise ratio compared to standard invasive recordings, resulting in nearly double the decoding accuracy.

The use of advanced computing techniques, including non-linear decoding models, leverages the rich spatio-temporal structure of these neural signals to enhance speech decoding. The real-time aspect of this research is crucial, as it enables the development of neural speech prostheses that can operate in real-time, allowing for immediate feedback and communication. Additionally, the project addresses the unique challenges of deploying these systems in environments without reliable Wi-Fi connectivity, ensuring that the technology can be used effectively in various settings.

The interdisciplinary collaboration between the medical and engineering schools at Duke enhances the development and application of these cutting-edge technologies, providing new hope for patients with speech impairments.

Advancing Machine Learning in Biomedical Research

The Chatterjee Lab harnesses the power of HPC and GPUs to develop advanced machine-learning and AI models that support its protein design efforts. The lab focuses on three main areas:

  • Programmable proteome editing
  • Programmable genome editing
  • Programmable cell engineering

By leveraging GPUs, the lab can efficiently train generative language models such as Cut&CLIP, SaLT&PepPr, PepPrCLIP, and PepMLM. These models help with the design of peptide-guided therapeutics, CRISPR-mediated genome editing tools, and protocols for differentiating ovarian cell types from pluripotent stem cells.

The computational power of GPUs accelerates the lab’s ability to process large datasets and complex algorithms, facilitating rapid advancements in targeted therapeutics and genetic engineering.

Research Featuring High Performance Computing

  • Genomic simulation

    Three Dimensional Genome Organization Regulated by Active Loop Extrusion

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  • Simulation of the mechanical response (stress) in the arterial wall; red regions indicate higher variability

    High-Fidelity Mechanistic-Probabilistic Models of Arterial Tissues

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  • Non-Invasive Diagnostics for Coronary Artery Disease

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  • Workflow for Programmable Proteome Editing

    Generative Language Models to Design Protein Therapeutics

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  • Diagram of a coronary artery bifurcation with guidewire placement illustration

    Digital Twins for Bifurcation Lesion Treatment

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  • Use of the Adaptive Physics Refinement (APR) model within an upper body vasculature enables up to 4 orders of magnitude increase in total simulated fluid volume accessible to cellular resolution.

    Adaptive Physics Refinement

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  • Fluorescence microscopy image of a blood vessel aneurysm in red and green.

    Coupled Digital Twins as Surrogates to Assess Treatment of Cerebral Aneurysms

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  • Diagram illustrating parallel cell simulation with data exchange and ownership transfer.

    Scaling Fluid Simulations on Leadership Class Supercomputers

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Publications Featuring High Performance Computing

  • Baseline aortic geometries of repaired coarctation patients (top row) and healthy control patients (middle row.) Each geometry is paired with its matched control (e.g., R0 with C0, R1 with C1, etc. Bottom row, from left: Representative geometry with stenosis σ = 0 % (unmodified baseline), 10%, 50%, and 80%.

    A systematic quantification of hemodynamic differences persisting after aortic coarctation repair

    Aortic coarctation (CoA) comprises 6%–8% of all congenital heart diseases and is the second most common cardiovascular disease requiring neonatal surgical correction. However, patients…

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  • Graph of molecular encoding

    Identifying Antibiotic Effects of Investigational Drugs on Commensal Bacteria with Machine Learning

    Many human-targeted medications have been found to impact the composition of patients’ gastrointestinal microbiomes, which has been proposed as an unrecognized source of drug…

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  • Illustration of the different segmentation tasks for diverse brain tumor types within the BraTS segmentation challenges

    BraTS orchestrator: Democratizing and Disseminating state-of-the-art brain tumor image analysis

    The Brain Tumor Segmentation (BraTS) cluster of challenges has significantly advanced brain tumor image analysis by providing large, curated datasets and addressing clinically relevant…

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  • Publication icon

    Simulation-based machine learning for real-time assessment of side-branch hemodynamics in coronary bifurcation lesions

    Provisional stenting is the standard treatment for coronary bifurcation lesions, relying on real-time assessment of side-branch (SB) hemodynamics to guide intervention. Functional metrics such…

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  • Velocity-time curve with feature points and scatter plot correlations.

    Impact of inlet velocity waveform shape on hemodynamics

    Monitoring disease development in arteries, which supply oxygen and nutrients to the body, is crucial and can be assessed using hemodynamic metrics. Hemodynamic metrics…

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  • Workflow diagram of offline modeling and online planning for blood flow.

    Real-time virtual intervention for simple and serial coronary artery disease using the HarVI framework

    Virtual planning tools that provide intuitive user interaction and immediate hemodynamic feedback are crucial for cardiologists to effectively treat coronary artery disease. Current FDA-approved…

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  • Active processes on chromatin

    Activity-driven chromatin organization during interphase: Compaction, segregation, and entanglement suppression

    In mammalian cells, the cohesin protein complex is believed to translocate along chromatin during interphase to form dynamic loops through a process called active…

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  • Overview of chromatin organization

    Theory of chromatin organization maintained by active loop extrusion

    The active loop extrusion hypothesis proposes that chromatin threads through the cohesin protein complex into progressively larger loops until reaching specific boundary elements. We…

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  • T cells examples

    Establishing a massively parallel computational model of the adaptive immune response

    Parallel agent-based models of the adaptive immune response can efficiently recapitulate emerging spatiotemporal properties of T-cell motility during clonal selection across multiple length and…

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  • Graph representing data from project

    Stochastic modeling of a class of stored energy functions for incompressible hyperelastic materials with uncertainties

    In this Note, we address the construction of a class of stochastic Ogden’s stored energy functions associated with incompressible hyperelastic materials. The methodology relies…

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