1 code implementation • 27 Apr 2023 • Roy R. Lederman, Bogdan Toader
Many techniques in machine learning attempt explicitly or implicitly to infer a low-dimensional manifold structure of an underlying physical phenomenon from measurements without an explicit model of the phenomenon or the measurement apparatus.
1 code implementation • 13 Mar 2023 • Daniel G. Edelberg, Roy R. Lederman
Variational autoencoders (VAEs) are a popular generative model used to approximate distributions.
no code implementations • 4 Jan 2023 • James A. Brofos, Vivekananda Roy, Roy R. Lederman
Unlike Euclidean Hamiltonian Monte Carlo (EHMC) and the Metropolis-adjusted Langevin algorithm (MALA), the geometric ergodicity of these Riemannian algorithms has not been extensively studied.
no code implementations • 19 Nov 2022 • Bogdan Toader, Fred J. Sigworth, Roy R. Lederman
Macromolecules change their shape (conformation) in the process of carrying out their functions.
no code implementations • 14 Feb 2021 • James A. Brofos, Marcus A. Brubaker, Roy R. Lederman
For instance, some kinds of data may be known to lie on the surface of a sphere.
no code implementations • 15 Oct 2020 • James A. Brofos, Roy R. Lederman
We introduce magnetic manifold HMC, an HMC algorithm on embedded manifolds motivated by the physics of particles constrained to a manifold and moving under magnetic field forces.
1 code implementation • 17 Sep 2020 • Ori Katz, Roy R. Lederman, Ronen Talmon
Our approach combines manifold learning, which is a class of nonlinear data-driven dimension reduction methods, with the well-known Riemannian geometry of symmetric and positive-definite (SPD) matrices.
no code implementations • 18 Aug 2020 • James A. Brofos, Roy R. Lederman
Hamiltonian Monte Carlo is typically based on the assumption of an underlying canonical symplectic structure.
no code implementations • 2 Jul 2019 • Roy R. Lederman, Joakim andén, Amit Singer
We introduce the ``hyper-molecule'' framework for modeling structures across different states of heterogeneous molecules, including continuums of states.
2 code implementations • 8 Oct 2017 • Roy R. Lederman
The purpose of this paper is to review the elements of computing GPSFs and associated eigenvalues.
Numerical Analysis Numerical Analysis 42A38, 65T99, 33F05, 65D20
no code implementations • 10 Apr 2017 • Roy R. Lederman, Amit Singer
One of the great opportunities in cryo-EM is to recover the structure of macromolecules in heterogeneous samples, where multiple types or multiple conformations are mixed together.
no code implementations • 12 Jul 2016 • Roy R. Lederman, Amit Singer
One of the difficulties in 3D reconstruction of molecules from images in single particle Cryo-Electron Microscopy (Cryo-EM), in addition to high levels of noise and unknown image orientations, is heterogeneity in samples: in many cases, the samples contain a mixture of molecules, or multiple conformations of one molecule.