Stochastic algorithms for large-scale composite optimization: the case of likelihood maximization for X-FEL imaging
Abstract We apply a recently developed framework for analyzing the convergence of stochastic algorithms to the general problem of large-scale nonconvex composite optimization more generally, and nonconvex likelihood maximization in particular. Our theory is demonstrated on a stochastic gradient descent algorithm for determining the electron density of a molecule from random samples of its scattering amplitude. Numerical results on an idealized synthetic example provide a proof of concept. The algorithm we use is just one of a wide range of possibilities, all of which can be formulated abstractly as random function iterations. Our framework provides a basis for evaluating and comparing different numerical strategies. While this case study is very specific, it shares a structure that transfers easily to many problems of current interest, particularly in machine learning.
Authors
- Helmut Grubmüller (ORCID: https://orcid.org/0000-0002-3270-3144)
- Steffen Schultze (ORCID: https://orcid.org/0000-0002-0136-8013)
- D. Russell Luke
Institutions
- Max Planck Institute for Biophysical Chemistry (DE)
Publication Details
- Journal
- Mathematical Programming
- Published
- 2026-01-12
- DOI
- https://doi.org/10.1007/s10107-025-02319-9
- Primary Topic
- Stochastic Gradient Optimization Techniques
- Type
- article
- Field-Weighted Citation Impact
- 0.00
Funders
- Deutsche Forschungsgemeinschaft