Haoran Dai

Relationships in scientific data, such as the numerical and spatial distribution relations of features in univariate data, the scalar-value combinations’ relations in multivariate data, and the association of volumes in time-varying and ensemble data, are intricate and complex. This paper presents voxel2vec, a novel unsupervised representation learning model, which is used to learn distributed representations of scalar values/scalar-value combinations in a low-dimensional vector space. Its basic assumption is that if two scalar values/scalar-value combinations have similar contexts, they usually have high similarity in terms of features. By representing scalar values/scalar-value combinations as symbols, voxel2vec learns the similarity between them in the context of spatial distribution and then allows us to explore the overall association between volumes by transfer prediction. We demonstrate the usefulness and effectiveness of voxel2vec by comparing it with the isosurface similarity map of univariate data and applying the learned distributed representations to feature classification for multivariate data and to association analysis for time-varying and ensemble data.

The high-resolution scanning devices developed in recent decades provide biomedical volume datasets that support the study of molecular structure and drug design. Isosurface analysis is an important tool in these studies, and the key is to construct suitable description vectors to support subsequent tasks, such as classification and retrieval. Traditional methods based on handcrafted features are insufficient for dealing with complex structures, while deep learning-based approaches have high memory and computation costs when dealing directly with volume data. To address these problems, we propose IsoExplorer, an isosurface-driven framework for 3D shape analysis of biomedical volume data. We first extract isosurfaces from volume data and split them into individual 3D shapes according to their connectivity. Then, we utilize octree-based convolution to design a variational autoencoder model that learns the latent representations of the shape. Finally, these latent representations are used for low-dimensional isosurface representation and shape retrieval. We demonstrate the effectiveness and usefulness of IsoExplorer via isosurface similarity analysis, shape retrieval of real-world data, and comparison with existing methods. Graphic abstract