3D latent space exploration with Tc

Using the 256 dimensional latent space output from the Orb model, we visualize the 3DSC(MP) dataset using UMAP with direction from Tc labels. Hover a point to see Tc, formula, and Material Project identifier.

3D latent space exploration with Tc · Files on Ouro

4mo

3D latent space exploration with Tc

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Orb latent space exploration
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This is a continued deep-dive into the latent space generated by the Orb model prior to it's MLFF tasks. I have been attempting to train a model on Tc prediction using this latent space as a feature v
4mo

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Interactive 3D latent space exploration with Tc

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Using the 256 dimensional latent space output from the Orb model, we visualize the 3DSC(MP) dataset using t-SNE and UMAP. The UMAP projection has been given the target for learning a manifold that keeps similar Tc materials close together.

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Orb latent space features dim-reduced and colored with Tc

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Plot produced by taking the features generated by Orb (256 dim output) and visualizing different dimensionality reduction methods on them and coloring the point by Tc from the 3DSC database.

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3D latent space exploration with Tc

3D latent space exploration with Tc

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Orb latent space exploration

Similar files

Orb latent space Tc classifier train and eval dataset Tc histogram

Interactive 3D latent space exploration with Tc

Orb latent space features dim-reduced and colored with Tc