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HyperDiffusionFields (HyDiF): Diffusion-Guided Hypernetworks for Learning Implicit Molecular Neural Fields
Sudarshan Babu, Phillip Lo, Xiao Zhang +5
We introduce HyperDiffusionFields (HyDiF), a framework that models 3D molecular conformers as continuous fields rather than discrete atomic coordinates or graphs. At the core of ou…
Domain-independent Dominance of Adaptive Methods
Pedro Savarese, David McAllester, Sudarshan Babu +1
From a simplified analysis of adaptive methods, we derive AvaGrad, a new optimizer which outperforms SGD on vision tasks when its adaptability is properly tuned. We observe that th…
Scalable K-Medoids via True Error Bound and Familywise Bandits
Aravindakshan Babu, Saurabh Agarwal, Sudarshan Babu +1
K-Medoids(KM) is a standard clustering method, used extensively on semi-metric data.Error analyses of KM have traditionally used an in-sample notion of error,which can be far from…