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Knowledge Base Resources

These resources are contributed by researchers, facilitators, engineers, and HPC admins. Please upvote resources you find useful!
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Factor Graphs and the Sum-Product Algorithm
0
  • https://ieeexplore.ieee.org/document/910572
A tutorial paper that presents a generic message-passing algorithm, the sum-product algorithm, that operates in a factor graph. Following a single, simple computational rule, the sum-product algorithm computes either exactly or approximately various marginal functions derived from the global function. A wide variety of algorithms developed in artificial intelligence, signal processing, and digital communications can be derived as specific instances of the sum-product algorithm, including the forward/backward algorithm, the Viterbi algorithm, the iterative "turbo" decoding algorithm, Pearl's (1988) belief propagation algorithm for Bayesian networks, the Kalman filter, and certain fast Fourier transform (FFT) algorithms
ACCESS-accountaimachine-learning
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Type
documentation
Level
Intermediate
Time-Series LSTMs Python Walkthrough
0
  • Walkthrough Site
  • Google Colab
A walkthrough (with a Google Colab link) on how to implement your own LSTM to observe time-dependent behavior.
aideep-learningmachine-learningneural-networkspytorchpython
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Type
website
Level
Advanced
Ask.CI Q&A Platform for Research Computing
0
  • Ask.CI
resourcesprogramming-best-practices
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Type
website
Level
Beginner, Intermediate, Advanced
Building Anaconda Navigator applications
0
  • Building Anaconda Navigator applications
This tutorial explains how to create an Anaconda Navigator Application (app) for JupyterLab. It is intended for users of Windows, macOS, and Linux who want to generate an Anaconda Navigator app conda package from a given recipe. Prior knowledge of conda-build or conda recipes is recommended.
compilingcondaprogrammingprogramming-best-practices
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Type
tool
Level
Intermediate
Online Master's in Business Analytics Program Guide - TechGuide
0
  • Find Online Master's in Business Analytics
A degree in business analytics looks different in today’s world than it did a decade ago. In its most current application, business analytics uses modern data science and capabilities in machine learning (ML). The magic comes into play when these are leveraged for strategic planning.
machine-learningbig-datadata-analysisdata-science
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Type
website
Level
Advanced
Weka
0
  • Weka Homepage
  • Weka Data Mining Tutorials
Weka is a collection of machine learning algorithms for data mining tasks. It contains tools for data preparation, classification, regression, clustering, association rules mining, and visualization.
big-datadata-analysismachine-learningwekadata-sciencejava
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Type
tool
Level
Intermediate, Advanced
MOPAC
0
  • Examples of I/O Files for Mopac
MOPAC (Molecular Orbital PACkage) is a semi-empirical quantum chemistry package used to compute molecular properties and structures by using approximations of the Schrödinger equation. This tutorial explains the process of using MOPAC for different forms of calculations.
computational-chemistry
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tool
Level
Intermediate, Advanced
Why Mentoring Matters and How to Get Started
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  • Why Mentoring Matters and How to Get Started
Describes effective mentorship (both ways).
mentorshipprofessional-development
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Type
website
Level
Beginner
Active inference textbook
0
  • Active Inference: The Free Energy Principle in Mind, Brain, and Behavior
This textbook is the first comprehensive treatment of active inference, an integrative perspective on brain, cognition, and behavior used across multiple disciplines including computational neurosciences, machine learning, artificial intelligence, and robotics. It was published in 2022 and it's open access at this time. The contents in this textbook should be educational to those who want to understand how the free energy principle is applied to the normative behavior of living organisms and who want to widen their knowledge of sequential decision making under uncertainty.
aimachine-learningneural-networks
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Type
learning
Level
Beginner, Intermediate, Advanced
Solving differential equations with Physics-informed Neural Network
0
  • solving DE with neural networks
Differential equations, the backbone of countless physical phenomena, have traditionally been solved using numerical methods or analytical techniques. However, the advent of deep learning introduces an intriguing alternative: Physics-Informed Neural Networks (PINNs). By leveraging the representational power of neural networks and integrating physical laws (like differential equations), PINNs offer a novel approach to solving complex problems. This guide walks through an implementation of a PINN to solve DEs such as the logistic equation.
neural-networks
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Type
learning
Level
Beginner, Intermediate
ConnectCI
0
  • https://cnct.ci
Connect.Cybinfrastructure is a family of portals, each representing a program that is serving a segment of the research computing and data community. Each portal provides program-specific information, as well a custom "view" into a common database. The portal was originally developed to support project workflows and a knowledge base of self service learning resources for the Northeast Cyberteam. Subsequently, it was expanded to provide support to multiple cyberteams and other research computing communities of practice. We welcome additional communities, please contact us if you are interested in participating. Central to the Portal is an extensive and ever-evolving tagging infrastructure which informs every aspect of the Portal. The tag taxonomy was initially developed by the Northeast Cyberteam to categorize subject matter relevant to practitioners of Research Computing Facilitation and is ever changing due to the frequent introduction of new technology in domains that characterize the field of research computing.
community-outreach
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Type
website
Level
Beginner, Intermediate, Advanced
AHPCC documentary
0
  • Arkansas High Performance Computing Center
This link is a documentary website to use AHPCC.
loginbatch-jobsslurmbashsshpythonmpi
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Type
documentation
Level
Beginner, Intermediate
Developer Stories Podcast
0
  • Developer Stories Podcast
As developers, we get excited to think about challenging problems. When you ask us what we are working on, our eyes light up like children in a candy store. So why is it that so many of our developer and software origin stories are not told? How did we get to where we are today, and what did we learn along the way? This podcast aims to look “Behind the Scenes of Tech’s Passion Projects and People.” We want to know your developer story, what you have built, and why. We are an inclusive community - whatever kind of institution or country you hail from, if you are passionate about software and technology you are welcome!
community-outreachprofessional-developmenttrainingworkforce-development
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Type
website
Level
Beginner, Intermediate, Advanced
File management of Visual Studio Code on clusters
0
  • VS Code installation
Visual Studio Code, commonly known as VSCode, is a popular tool used by programmers worldwide. It serves as a text editor and an Integrated Development Environment (IDE) that supports a wide variety of programming languages. One of its key features is its extensive library of extensions. These extensions add on to the basic functionalities of VSCode, making coding more efficient and convenient. However, there's a catch. When these extensions are installed and used frequently, they generate a multitude of files. These files are typically stored in a folder named .vscode-extension within your home directory. On a cluster computing facility such as the FASTER and Grace clusters at Texas A&M University, there's a limitation on how many files you can have in your home directory. For instance, the file number limit could be 10000, while the .vscode-extension directory can hold around 4000 temporary files even with just a few extensions. Thus, if the number of files in your home directory surpasses this limit due to VSCode extensions, you might face some issues. This restriction can discourage users from taking full advantage of the extensive features and extensions offered by the VSCode editor. To overcome this, we can shift the .vscode-extension directory to the scratch space. The scratch space is another area in the cluster where you can store files and it usually has a much higher limit on the number of files compared to the home directory. We can perform this shift smoothly using a feature called symbolic links (or symlinks for short). Think of a symlink as a shortcut or a reference that points to another file or directory located somewhere else. Here's a step-by-step guide on how to move the .vscode-extension directory to the scratch space and create a symbolic link to it in your home directory: 1. Copy the .vscode-extension directory to the scratch space: Using the cp command, you can copy the .vscode-extension directory (along with all its contents) to the scratch space. Here's how: cp -r ~/.vscode-extension /scratch/user Don't forget to replace /scratch/user with the actual path to your scratch directory. 2. Remove the original .vscode-extension directory: Once you've confirmed that the directory has been copied successfully to the scratch space, you can remove the original directory from your home space. You can do this using the rm command: rm -r ~/.vscode-extension It's important to make sure that the directory has been copied to the scratch space successfully before deleting the original. 3. Create a symbolic link in the home directory: Lastly, you'll create a symbolic link in your home directory that points to the .vscode-extension directory in the scratch space. You can do this as follows: ln -s /scratch/user/.vscode-extension ~/.vscode-extension By following this process, all the files generated by VSCode extensions will be stored in the scratch space. This prevents your home directory from exceeding its file limit. Now, when you access ~/.vscode-extension, the system will automatically redirect you to the directory in the scratch space, thanks to the symlink. This method ensures that you can use VSCode and its various extensions without worrying about hitting the file limit in your home directory.
fasterfile-limitscratchfile-transfer
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Type
learning
Level
Intermediate
Bioinformatics Workflow Management with Nextflow
0
  • https://www.nextflow.io/
  • https://www.nextflow.io/docs/latest/index.html
Nextflow is an open-source, domain-specific language and workflow manager designed for the execution and coordination of scientific and data-intensive computational workflows. It was specifically created to address the challenges faced by researchers and scientists when dealing with complex and scalable computational pipelines, particularly in fields such as bioinformatics, genomics, and data analysis. Here provided some links to start with.
cloud-computingparallelizationdata-managementbioinformaticstraining
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Type
documentation
Level
Beginner, Intermediate
ACCESS Guide (originally given at Duke OIT)
0
  • Using Jetstream 2 for Duke members (written for Duke OIT)
A guide for Duke OIT on how to advise users on using ACCESS and allocation credits to jetstream 2 for Duke University members. This can be used for non Duke members. Assumes the reader has basic knowledge of ACCESS.
ACCESS-creditsadding-usersallocation-managementjetstreamcloud-computingloginACCESS-websiteproject-managementcilogon
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Type
documentation
Level
Intermediate, Advanced
Spatial Data Science in the Cloud (Alpine HPC) using Python
0
  • Spatial Data Science in the Cloud (Alpine HPC) using Python Webpage
Spatial Data Science is a growing field across a wide range of industries and disciplines. The open-source programming language Python has many libraries that support spatial analysis, but what do you do when your computer is unable to tackle the massive file sizes of high-resolution data and the computing power required in your analysis? There materials have been prepared to teach you spatial data science and how to execute your analysis using a high-performance computer (HPC).
cloudbig-datadata-analysisgishpc-getting-startedslurmgitanacondapython
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Type
learning
Level
Beginner, Intermediate
Geocomputation with R (Free Reference Book)
0
  • Geocomputation with R
Below is a link for a book that focuses on how to use "sf" and "terra" packages for GIS computations. As of 5/1/2023, this book is up to date and examples are error free. The book has a lot of information but provides a good overview and example workflows on how to use these tools.
r
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Type
learning
Level
Beginner, Intermediate
OnShape FeatureScripts: Custom features for everyone
0
  • OnShape FeatureScripts
OnShape FeatureScripts allow users to create their own features via OnShape's programming language. The user can make these as simple or complex as they need, and they can save tons of time for heavy OnShape users or complex projects!
documentationmaterials-scienceparticle-physics
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Type
tool
Level
Intermediate, Advanced
Trusted CI Resources Page
0
  • Trusted CI Resources Page
Very helpful list of external resources from Trusted CI
cybersecurity
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Type
website
Level
Beginner, Intermediate, Advanced
Navier-Stokes Cahn-Hilliard (NSCH) for MOOSE Framework
0
  • Navier-Stokes Cahn-Hilliard (NSCH) for MOOSE Framework
The MOOSE Navier-Stokes Cahn-Hilliard (NSCH) application is a library for implementing simulation tools that solve the Navier-Stokes Cahn-Hilliard equations with non-matching densities using Galerkin finite element methods with a residual-based stabilization scheme.
ACCESSc++pythonsoftware-installation
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Type
website
Level
Intermediate
UNIX/command line basics tutorial
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  • UNIX/command line basics tutorial
Introductory training materials for working on the UNIX command line.
bash
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Type
learning
Level
Beginner
Examples of code using JSON nlohmann header only Library for C++
0
  • json_test.txt
  • test.txt
This code showcases how to work with the header-only nlohmann JSON library for C++. In order to compile, change the extensions from json_test.txt to json_test.cpp and test.txt to test.json. You must also download the header files from https://github.com/nlohmann/json. Complilation instructions are at the bottom of json_test. This code is very helpful for creating config files, for example.
c++
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Type
learning
Level
Advanced
Feed Forward NNs and Gradient Descent
0
  • Feed-Forward and SGD
Feed-forward neural networks are a simple type of network that simply rely on data to be "fed-forward" through a series of layers that makes decisions on how to categorize datum. Gradient descent is a type of optimization tool that is often used to train machines. These two areas in ML are good starting points and are the easiest types of neural network/optimization to understand.
deep-learningmachine-learningneural-networks
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Type
website
Level
Intermediate

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