Search Results for author: Holger Hoefling

Found 2 papers, 1 papers with code

Chimera: Accurate retrosynthesis prediction by ensembling models with diverse inductive biases

no code implementations6 Dec 2024 Krzysztof Maziarz, Guoqing Liu, Hubert Misztela, Aleksei Kornev, Piotr Gaiński, Holger Hoefling, Mike Fortunato, Rishi Gupta, Marwin Segler

Planning and conducting chemical syntheses remains a major bottleneck in the discovery of functional small molecules, and prevents fully leveraging generative AI for molecular inverse design.

Retrosynthesis

A path algorithm for the Fused Lasso Signal Approximator

1 code implementation3 Oct 2009 Holger Hoefling

The Lasso is a very well known penalized regression model, which adds an $L_{1}$ penalty with parameter $\lambda_{1}$ on the coefficients to the squared error loss function.

regression

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