4 papers · 1 filter
Higher-Order Molecular Grammars for Generative and Foundation Models in Chemistry
Yiming Huang, Yujie Zeng, Vijay Prakash Dwivedi +4
Molecular learning models are strongly shaped by their underlying representations. Yet standard sequential and graph formalisms struggle to explicitly encode higher-order topology,…
Heat Kernel Textures: the Geodesic Gaussians That Do Not Splat
Simone Foti, Caner Korkmaz, Stefanos Zafeiriou +1
3D Gaussian Splatting has recently revolutionised novel view synthesis as well as many other 3D vision methods and applications. Drawing inspiration from this representation, we no…
Air Quality Downscaling with Station-Guided Pseudo-Supervision
Guorun Wang, Simone Foti, Andreas D. Demou +5
Super-resolving coarse atmospheric fields to local PM variations is uniquely challenged by a mismatch in spatial support: while pixels represent regional averages, ground-t…
Parallelised Differentiable Straightest Geodesics for 3D Meshes
Hippolyte Verninas, Caner Korkmaz, Stefanos Zafeiriou +2
Machine learning has been progressively generalised to operate within non-Euclidean domains, but geometrically accurate methods for learning on surfaces are still falling behind. T…