Zobrazeno 1 - 10
of 145
pro vyhledávání: '"Simpson, Gideon"'
Publikováno v:
Journal of Chemical Physics; 8/28/2024, Vol. 161 Issue 8, p1-11, 11p
Autor:
Jones, Felix G., Simpson, Gideon
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, & Stuart (2017), error estimates were obtained for this approach. By
Externí odkaz:
http://arxiv.org/abs/2110.03045
Previous research in interpretable machine learning (IML) and explainable artificial intelligence (XAI) can be broadly categorized as either focusing on seeking interpretability in the agent's model (i.e., IML) or focusing on the context of the user
Externí odkaz:
http://arxiv.org/abs/2108.10437
Autor:
Medvedev, Georgi, Simpson, Gideon
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 the continuum model are a nonlocal term and Q-Wiener process describin
Externí odkaz:
http://arxiv.org/abs/2108.07300
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 discrete states is a long-known limitation. We show theoretically that
Externí odkaz:
http://arxiv.org/abs/2105.13402
We explore whether splitting and killing methods can improve the accuracy of Markov chain Monte Carlo (MCMC) estimates of rare event probabilities, and we make three contributions. First, we prove that "weighted ensemble" is the only splitting and ki
Externí odkaz:
http://arxiv.org/abs/2011.13899
Autor:
Plecháč, Petr, Simpson, Gideon
We examine challenges to sampling from Boltzmann distributions associated with multiscale energy landscapes. The multiscale features, or "roughness," corresponds to highly oscillatory, but bounded, perturbations of a smooth landscape. Through a combi
Externí odkaz:
http://arxiv.org/abs/1903.09998
Autor:
Copperman, Jeremy, Aristoff, David, Makarov, Dmitrii E., Simpson, Gideon, Zuckerman, Daniel M.
Probability currents are fundamental in characterizing the kinetics of non-equilibrium processes. Notably, the steady-state current $J_{ss}$ for a source-sink system can provide the exact mean-first-passage time (MFPT) for the transition from source
Externí odkaz:
http://arxiv.org/abs/1810.09964
We examine a degenerate, dispersive, nonlinear wave equation related to the evolution of partially molten rock in dimensions two and higher. This simplified model, for a scalar field capturing the melt fraction by volume, has been studied by direct n
Externí odkaz:
http://arxiv.org/abs/1706.04569
Metastable condensed matter typically fluctuates about local energy minima at the femtosecond time scale before transitioning between local minima after nanoseconds or microseconds. This vast scale separation limits the applicability of classical mol
Externí odkaz:
http://arxiv.org/abs/1702.01469