Intrinsic map dynamics exploration for uncharted effective free-energy landscapes
We describe and implement a computer-assisted approach for accelerating the exploration
of uncharted effective free-energy surfaces (FESs). More generally, the aim is the extraction …
of uncharted effective free-energy surfaces (FESs). More generally, the aim is the extraction …
Topological inference of manifolds with boundary
Y Wang, B Wang - Computational Geometry, 2020 - Elsevier
Given a set of data points sampled from some underlying space, there are two important
challenges in geometric and topological data analysis when dealing with sampled data …
challenges in geometric and topological data analysis when dealing with sampled data …
Robust denoising of piece-wise smooth manifolds
A common smoothness model used in graph based regularization approaches is to require
the energy of signals to be small with respect to the graph Laplacian of the graph. In this …
the energy of signals to be small with respect to the graph Laplacian of the graph. In this …
Learning the geometric structure of manifolds with singularities using the tensor voting graph
We present a general framework that addresses manifolds with singularities and multiple
intersecting manifolds, which is also robust against a large number of outliers. We suggest a …
intersecting manifolds, which is also robust against a large number of outliers. We suggest a …
gTPS: A machine learning and quantum computer-based algorithm for Transition Path Sampling
D Ghamari - 2024 - iris.unitn.it
Simulating rare structural rearrangements of macromolecules with classical computational
methods, such as Molecular Dynamics (MD), is an outstanding challenge. A multitude of …
methods, such as Molecular Dynamics (MD), is an outstanding challenge. A multitude of …