Search Results for author: Fabian Theis

Found 9 papers, 4 papers with code

Entropic (Gromov) Wasserstein Flow Matching with GENOT

no code implementations13 Oct 2023 Dominik Klein, Théo Uscidda, Fabian Theis, Marco Cuturi

Optimal transport (OT) theory has reshaped the field of generative modeling: Combined with neural networks, recent \textit{Neural OT} (N-OT) solvers use OT as an inductive bias, to focus on ``thrifty'' mappings that minimize average displacement costs.

Inductive Bias

MAGNet: Motif-Agnostic Generation of Molecules from Shapes

1 code implementation30 May 2023 Leon Hetzel, Johanna Sommer, Bastian Rieck, Fabian Theis, Stephan Günnemann

Recent advances in machine learning for molecules exhibit great potential for facilitating drug discovery from in silico predictions.

Drug Discovery

The power of motifs as inductive bias for learning molecular distributions

no code implementations4 Apr 2023 Johanna Sommer, Leon Hetzel, David Lüdke, Fabian Theis, Stephan Günnemann

Machine learning for molecules holds great potential for efficiently exploring the vast chemical space and thus streamlining the drug discovery process by facilitating the design of new therapeutic molecules.

Drug Discovery Inductive Bias

Uncertainty Quantification for Atlas-Level Cell Type Transfer

no code implementations7 Nov 2022 Jan Engelmann, Leon Hetzel, Giovanni Palla, Lisa Sikkema, Malte Luecken, Fabian Theis

Here, for the first time, we introduce uncertainty quantification methods for cell type classification on single-cell reference atlases.

Uncertainty Quantification Vocal Bursts Type Prediction

Sparsity in Continuous-Depth Neural Networks

1 code implementation26 Oct 2022 Hananeh Aliee, Till Richter, Mikhail Solonin, Ignacio Ibarra, Fabian Theis, Niki Kilbertus

Neural Ordinary Differential Equations (NODEs) have proven successful in learning dynamical systems in terms of accurately recovering the observed trajectories.

Predicting Cellular Responses to Novel Drug Perturbations at a Single-Cell Resolution

1 code implementation28 Apr 2022 Leon Hetzel, Simon Böhm, Niki Kilbertus, Stephan Günnemann, Mohammad Lotfollahi, Fabian Theis

Single-cell transcriptomics enabled the study of cellular heterogeneity in response to perturbations at the resolution of individual cells.

Drug Discovery Transfer Learning

Mitosis Detection in Intestinal Crypt Images with Hough Forest and Conditional Random Fields

no code implementations26 Aug 2016 Gerda Bortsova, Michael Sterr, Lichao Wang, Fausto Milletari, Nassir Navab, Anika Böttcher, Heiko Lickert, Fabian Theis, Tingying Peng

A statistical analysis of these measurements requires annotation of mitosis events, which is currently a tedious and time-consuming task that has to be performed manually.

Mitosis Detection

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