Big data and uncertainty quantification: statistical inference and information-theoretic techniques applied to computational chemistry
An incentive to use coarse-grained models is to use them for inference and control instead of the original (often intractable) model. Since coarse-grained models are always “wrong”, questions such as inference under model misspecification or goal-oriented uncertainty quantification (e.g. for control) come into play. This workshop will address such topics, with a special focus on predictive modelling, uncertainty quantification in molecular simulation and sensitivity analysis.
26 to 29 March 2019 - CIB premises (Room GA 3 21).
1 to 3 April 2019 - CECAM premises (Room BCH 3113).
Part of the Semester : Multi-scale Mathematical Modelling and Coarse-grain Computational Chemistry
By: Carsten Hartmann, BTU Cottbus-Senftenberg Fabio Nobile, EPFL Frank Pinski, University of Cincinnati Tim Sullivan, Zuse Institute Berlin
The Dold-Thom theorem is a classical result in algebraic topology giving isomorphisms between the homology groups of a space and the homotopy groups of its infinite symmetric product. The goal of this talk is to outline a new proof of this theorem, which is direct and geometric in nature. The heart of this proof is a hypercover argument which identifies the infinite symmetric product as an instance of factorization homology.
By: Lauren Bandklayder
Let S be a compact hyperbolic surface uniformised by a Fuchsian group
Γ. For any element σ ∈ G:= Gal(C/Q) the natural Galois action of G
on the coefficients of the algebraic equation corresponding to the Riemann
surface S yields a new hyperbolic surface S σ with uniformising group Γ σ .
Little seems to be known about the relationship between Γ and Γ σ as
subgroups of P SL 2 (R). I will attempt to show that by studying the action of
G on the solenoid associated to S one can find some invariants of this Galois
action. I will apply these results to present explicit (arithmetic) Fuchsian
groups that uniformise non-Galois-conjugate hyperbolic surfaces.
By: Gabino González-Diez