6 accepted papers
Protein-protein interactions (PPIs) are governed by surface complementarity and hydrophobic interactions at protein interfaces. However, designing diverse and physically realistic protein structure and surfaces that precisely complement target receptors remains a significant challenge in computation…
Modern artificial intelligence and machine learning workflows rely on efficient tensor libraries. However, tuning tensor libraries without considering the actual problems they are meant to execute can lead to a mismatch between expected performance and the actual performance. Einsum libraries are tu…
Capsule neural networks replace simple, scalar-valued neurons with vector-valued capsules. They are motivated by the pattern recognition system in the human brain, where complex objects are decomposed into a hierarchy of simpler object parts. Such a hierarchy is referred to as a parse-tree. Conceptu…
The Hessian of a differentiable convex function is positive semidefinite. Therefore, checking the Hessian of a given function is a natural approach to certify convexity. However, implementing this approach is not straightforward, since it requires a representation of the Hessian that allows its anal…
Constrained optimization problems arise frequently in classical machine learning. There exist frameworks addressing constrained optimization, for instance, CVXPY and GENO. However, in contrast to deep learning frameworks, GPU support is limited. Here, we extend the GENO framework to also solve const…
Topic models are characterized by a latent class variable that represents the different topics. Traditionally, their observable variables are modeled as discrete variables like, for instance, in the prototypical latent Dirichlet allocation (LDA) topic model. In LDA, words in text documents are enco…