Source code: https://github.com/the-virtual-brain/tvb-ext-xircuits

Release on Pypi: https://pypi.org/project/tvb-ext-xircuits/

This extension is also installed already in EBRAINS lab, where it can be tested directly.

Jupyter Lab Extension for building and executing TVB Workflows on EBRAINS

Purpose

This is a Jupyter Lab extension that offers graphical support for TVB workflows. It is already available in the EBRAINS Lab and it allows users to configure and execute TVB simulations directly from a GUI, while drastically reducing the complexity of configuring them inside a Jupyter Lab notebook.

Acknowledgements

This extension is build on top of the Xircuits Jupyter extension, but it also comes with custom functionalities, specifically designed for TVB and EBRAINS. These functionalities are detailed in a section below.

Installation

The extension can be installed using the official PyPi distribution (https://pypi.org/project/tvb-ext-xircuits/):

pip install tvb-ext-xircuits

After installing the extension and opening a Jupyter Lab session, you should be able to see in the left panel of Jupyter Lab a new icon, which represents the Xircuits components tray:

side.png

Usage

Step 1. Create a new Xircuits workflow

From the Jupyter Lab launcher, click on the Xircuits File icon, as in the screenshot below.

newxircs.png

A new file with the .xircuits extension will be generated under your current working directory. This is where you can start building the workflow diagram interactively. 

newfile.png

You will notice that 2 components are already placed inside the workflow: the Start and the Finish components. They cannot be modified or deleted, and they represent the starting and finishing point of the workflow.

Step 2.  Drag components into the workflow area

Open the components tray, from the left-side bar icon highlighted below.

tray.png

Now, you can browse through the components, select the one you wish to use, then drag and drop it into the workflow area.

components.png

Step 3. Configure the components

The components that are provided in this extensions are configurable, meaning you can set some parameters on almost every component. Some of the parameters are literals, while some parameters are results of other components.

In case of primitives you need to open the General tab from the components tray and drag the appropriate literal: float, int, string, dict, etc.

The parameters need to be linked to the inputs of the component by dragging and dropping a connection from the output port of a literal/component towards the corresponding input port of the other component (e.g. the gray connections in the screenshot below).

diagr.png

Step 4. Make connections

After dragging all your desired components/literals in the workflow area, it's time to connect the components.

First, link the Start node to the first component of your workflow. Then make the connections between all your components. The last component should be linked to the Finish node, to indicate the end of your workflow (e.g. the blue connections in the screenshot below). These connections will dictate the order of execution of the components in your workflow.

diagram.png

Step 5. Run the workflow

After connecting everything, you need to run the workflow to actually see its results.

There are 2 ways to run the workflow in EBRAINS Lab:

1. Locally:

  • For this you can click on the Run button (▶), which will also implicitly compile the workflow. Make sure that Local Run is selected near the Run button.

run.png

2. Remotely on HPC (only if you have access to HPC resources)

  • First choose the Remote Run in the select box and then click the Run button (▶), which will also implicitly compile the workflow. 

remote.png

  • A dialog will open to request the HPC connection details:
    • which HPC Site to use
    • the name of the HPC Project/Account you have access to
    • one checkbox to choose whether you want the HPC Monitoring to be opened up automatically (via tvb-ext-unicore GUI). This can also be opened up manually using the Monitor HPC button or the U icon from the left side-bar.
    • one checkbox to choose whether you want the results to be staged out automatically or not. If checked, the workflow waits for the HPC jobs to finish and then performs the stage out. If unchecked, the results can be manually downloaded later on by using the GUI of the tvb-ext-unicore. 

rem.png

  • The HPC monitoring is done via the GUI of tvb-ext-unicore which is a separate package we have documented under this Wiki. But it can be nicely used together with tvb-ext-xircuits:

uni.png

After clicking on Run, a new Jupyter Output window should appear in the bottom of your Jupyter Lab environment. Here you will see the output of your workflow, such as logs, static plots, etc.

out.png

Step 6. Share your work*

This step is, of course, optional, but it is worth mentioning that sharing your workflows with others is extremely easy. By just saving and sharing your workflow (*.xircuits) file, anyone can access the entire workflow, see the exact connections that you made and receive the same configuration for the components.

Custom functionalities

As mentioned before, besides all the core functionalities provided by Xircuits, some other functionalities were added to better suit the needs of the EBRAINS users.

1. Configure TVB models using the Phase Plane widget

This functionality was added to make it easier for users to provide the correct parameters to TVB models, using the Phase Plane widget.

To use this functionality, drag any model from the TVB_MODELS (inside the components tray) into the workflow area. Then right click on the model and select the Open Viewer option:

image-20221116125354-2.png

A new Jupyter tab should open, which contains a read-only Jupyter notebook. After following the instructions provided there, you should be able to see the Phase Plane widget associated with this particular model.

image-20221116125822-1.png

After configuring the parameters with the desired values, go to the Exports tab of the widget and click on Export model configuration. Now all you have to do is to go back to the tab where your workflow is and you will see that the model will have values set for all the parameters that you modified in the Phase Plane widget (that is all the parameters there were assigned values different than the default ones).

image-20221116130425-1.png

2. Visualize time series resulted from simulations

This functionality is available for the StoreResultsToDrive component. Right click on the StoreResultsToDrive and select the Open Viewer option: 

view.png

A new Jupyter tab should open, which contains a read-only Jupyter notebook. After running the cell, you should be able to see the TimeSeriesBrowser widget with the Collab and folder you have chosen for the StoreResultsToDrive component already loaded.

view2.png

Next, you should choose which time series file to display and click the View time series button.

view3.png

Workflow examples

1. Full TVB Simulation workflow

Contains all TVB components necessary for running a TVB simulation (i.e. connectivity, coupling, model, integrator, monitor, simulator).

2. Configuring model parameters using the PhasePlaneWidget:

Same workflow as before, but the parameter for the model used in simulation are set using the PhasePlaneWidget.

3. Using siibra to retrieve connectivities from the EBRAINS KG

A simulation workflow where siibra is used to retrieve a connectivity from the EBRAINS KG. That connectivity is fed into a TVB Simulator, where the rest of the parameters (coupling, model, etc.) are set to default values.

4. Run a workflow as an HPB job

A workflow simulation which is run remotely, by submitting a job to an HPC site and getting back the results (TimeSeries object).


 

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