73 citations · 343 across the 31 of their papers we have counts for
40 papers
Optimal Recovery for Solving Variational Problems
Ting Wang, Gideon Simpson, Jaroslaw Knap
In science and engineering, many physical laws and scientific principles naturally arise as variational problems of minimizing an energy functional over an appropriate functional s…
Weighted ensemble: Recent mathematical developments
D. Aristoff, J. Copperman, G. Simpson +2
The weighted ensemble (WE) method, an enhanced sampling approach based on periodically replicating and pruning trajectories in a set of parallel simulations, has grown increasingly…
Iterate Averaging, the Kalman Filter, and 3DVAR for Linear Inverse Problem
Felix G. Jones, Gideon Simpson
It has been proposed that classical filtering methods, like the Kalman filter and 3DVAR, can be used to solve linear statistical inverse problems. In the work of Iglesias, Lin, Lu,…
Longitudinal Distance: Towards Accountable Instance Attribution
Rosina O. Weber, Prateek Goel, Shideh Amiri +1
Previous research in interpretable machine learning (IML) and explainable artificial intelligence (XAI) can be broadly categorized as either focusing on seeking interpretability in…
A Numerical Method for a Nonlocal Diffusion Equation with Additive Noise
Georgi Medvedev, Gideon Simpson
We consider a nonlocal evolution equation representing the continuum limit of a large ensemble of interacting particles on graphs forced by noise. The two principle ingredients of…
Unbiased estimation of equilibrium, rates, and committors from Markov state model analysis
John D. Russo, Jeremy Copperman, David Aristoff +2
Markov state models (MSMs) have been broadly adopted for analyzing molecular dynamics trajectories, but the approximate nature of the models that results from coarse-graining into…