Search Results for author: Wouter Boomsma

Found 7 papers, 5 papers with code

Internal-Coordinate Density Modelling of Protein Structure: Covariance Matters

no code implementations27 Feb 2023 Marloes Arts, Jes Frellsen, Wouter Boomsma

After the recent ground-breaking advances in protein structure prediction, one of the remaining challenges in protein machine learning is to reliably predict distributions of structural states.

Protein Structure Prediction

Adaptive Cholesky Gaussian Processes

1 code implementation22 Feb 2022 Simon Bartels, Kristoffer Stensbo-Smidt, Pablo Moreno-Muñoz, Wouter Boomsma, Jes Frellsen, Søren Hauberg

We present a method to approximate Gaussian process regression models for large datasets by considering only a subset of the data.

Gaussian Processes

What is a meaningful representation of protein sequences?

1 code implementation28 Nov 2020 Nicki Skafte Detlefsen, Søren Hauberg, Wouter Boomsma

How we choose to represent our data has a fundamental impact on our ability to subsequently extract information from them.

BIG-bench Machine Learning Transfer Learning

(q,p)-Wasserstein GANs: Comparing Ground Metrics for Wasserstein GANs

1 code implementation10 Feb 2019 Anton Mallasto, Jes Frellsen, Wouter Boomsma, Aasa Feragen

We contribute to the WGAN literature by introducing the family of $(q, p)$-Wasserstein GANs, which allow the use of more general $p$-Wasserstein metrics for $p\geq 1$ in the GAN learning procedure.

Spherical convolutions and their application in molecular modelling

no code implementations NeurIPS 2017 Wouter Boomsma, Jes Frellsen

We show that the models are capable of learning non-trivial functions in these molecular environments, and that our spherical convolutions generally outperform standard 3D convolutions in this setting.

Feature Engineering

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