26250 Machine learning-driven molecular science
2026/2027
Overordnede kursusmål
See English version
Læringsmål
En studerende, der fuldt ud har opfyldt kursets mål, vil kunne:
- Build adaptive lab-in-the-loop machine learning systems.
- Explain common methods of extracting features from molecules,
including those based on structural similarity and neural
networks.
- Explain common featurization methods for molecules, including
those based on structural similarity and neural embeddings.
- Account for different types of experimental noise and
uncertainty, managing assays that involve sparse count data or
skewed error distributions.
- Derive decision rules for selecting candidates, and explain
mathematically the tradeoffs between exploration and
exploitation.
- Write probabilistic programs to fit models to data.
- Design experiments based on learned models.
- Test and evaluate lab-in-the-loop machine learning systems with
stochastic simulations.
Kursusindhold
See the English version
Bemærkninger
For questions regarding the course content and prerequisites,
please contact the teacher Eli Weinstein.
Sidst opdateret
07. september, 2026