#34 · ML / AI methods
Graph-based methods extend gene, protein, and pathway network prediction
The dominant thread is the explicit encoding of biological structure into graph-based models. GO4CD builds Gene Ontology partitions at multiple granularities for cluster-level causal discovery in gene regulatory networks. Reactome co-membership is reweighted using pathway hierarchy and sequence relations before random-walk gene prioritization. CLARA applies two-stage hierarchical selection to class imbalance in protein binding site prediction, and LTDA adds a Lorentz-manifold adapter with tangent-space diffusion for multi-label PPI type prediction. MOSAIC learns unsupervised embeddings from Krylov analysis of accumulated diffusion operators, while CDVGL-PDA integrates multi-modal knowledge through contrastive dual-view graph learning. What is new is treating prior knowledge hierarchies and geometry as structural components of the learning problem, rather than auxiliary features. MOSAIC and CDVGL-PDA rely more on learned representations than on explicit hierarchies.
Preprints
Mathematical Invariant-Enabled Topological Neural Networks for Molecular and Materials Property Prediction
MITNN, a topological neural network framework combining multiple mathematical invariants (topology, spectral, algebra, geometry, curvature) for molecular and…
Data-Driven Discovery of a Hyperelastic Strain-Energy Function for Veins Using Constitutive Artificial Neural Networks
Constitutive artificial neural network framework discovers a compact hyperelastic strain-energy function for saphenous, jugular, and IVC veins from biaxial…
MOSAIC: Learning Graph Node Embeddings from Spectrally Isolated Dominant Subspaces of Accumulated Diffusion Operators
MOSAIC is an unsupervised graph embedding method using Krylov analysis of accumulated diffusion operators; it outperforms FastRP, Node2Vec, HashGNN and…
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