3 papers
cs.CV2018
Using Deep Learning for Segmentation and Counting within Microscopy Data
Carlos X. Hernández, Mohammad M. Sultan, Vijay S. Pande
Cell counting is a ubiquitous, yet tedious task that would greatly benefit from automation. From basic biological questions to clinical trials, cell counts provide key quantitative…
stat.ML2018
Automated design of collective variables using supervised machine learning
Mohammad M. Sultan, Vijay S. Pande
Selection of appropriate collective variables for enhancing sampling of molecular simulations remains an unsolved problem in computational biophysics. In particular, picking initia…
stat.ML2018
Transferable neural networks for enhanced sampling of protein dynamics
Mohammad M. Sultan, Hannah K. Wayment-Steele, Vijay S. Pande
Variational auto-encoder frameworks have demonstrated success in reducing complex nonlinear dynamics in molecular simulation to a single non-linear embedding. In this work, we illu…