Benedict J. Leimkuhler

Orcid: 0000-0001-8504-7091

Affiliations:
  • University of Edinburgh, Scotland, UK


According to our database1, Benedict J. Leimkuhler authored at least 40 papers between 1988 and 2024.

Collaborative distances:
  • Dijkstra number2 of four.
  • Erdős number3 of four.

Timeline

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Bibliography

2024
Randomized time Riemannian Manifold Hamiltonian Monte Carlo.
Stat. Comput., February, 2024

Contraction and Convergence Rates for Discretized Kinetic Langevin Dynamics.
SIAM J. Numer. Anal., 2024

Numerical integrators for confined Langevin dynamics.
CoRR, 2024

2023
Unbiased Kinetic Langevin Monte Carlo with Inexact Gradients.
CoRR, 2023

Numerical Methods with Coordinate Transforms for Efficient Brownian Dynamics Simulations.
CoRR, 2023

Contraction Rate Estimates of Stochastic Gradient Kinetic Langevin Integrators.
CoRR, 2023

2022
Efficient Numerical Algorithms for the Generalized Langevin Equation.
SIAM J. Sci. Comput., 2022

Multirate Training of Neural Networks.
Proceedings of the International Conference on Machine Learning, 2022

2021
Better Training using Weight-Constrained Stochastic Dynamics.
Proceedings of the 38th International Conference on Machine Learning, 2021

2020
Hypocoercivity Properties of Adaptive Langevin Dynamics.
SIAM J. Appl. Math., 2020

Simplest random walk for approximating Robin boundary value problems and ergodic limits of reflected diffusions.
CoRR, 2020

Constraint-Based Regularization of Neural Networks.
CoRR, 2020

2019
MIST: A simple and efficient molecular dynamics abstraction library for integrator development.
Comput. Phys. Commun., 2019

Partitioned integrators for thermodynamic parameterization of neural networks.
CoRR, 2019

Transferability of Operational Status Classification Models Among Different Wind Turbine Types.
CoRR, 2019

TATi-Thermodynamic Analytics ToolkIt: TensorFlow-based software for posterior sampling in machine learning applications.
CoRR, 2019

2018
Ensemble preconditioning for Markov chain Monte Carlo simulation.
Stat. Comput., 2018

Quantifying Configuration-Sampling Error in Langevin Simulations of Complex Molecular Systems.
Entropy, 2018

2017
Langevin Dynamics with Variable Coefficients and Nonconservative Forces: From Stationary States to Numerical Methods.
Entropy, 2017

2016
Adaptive Thermostats for Noisy Gradient Systems.
SIAM J. Sci. Comput., 2016

Pairwise adaptive thermostats for improved accuracy and stability in dissipative particle dynamics.
J. Comput. Phys., 2016

2015
On the numerical treatment of dissipative particle dynamics and related systems.
J. Comput. Phys., 2015

The adaptive buffered force QM/MM method in the CP2K and AMBER software packages.
J. Comput. Chem., 2015

Covariance-Controlled Adaptive Langevin Thermostat for Large-Scale Bayesian Sampling.
Proceedings of the Advances in Neural Information Processing Systems 28: Annual Conference on Neural Information Processing Systems 2015, 2015

2011
Dimensional Reductions for the Computation of Time-Dependent Quantum Expectations.
SIAM J. Sci. Comput., 2011

2010
Simplified Modelling of a Thermal Bath, with Application to a Fluid Vortex System.
Multiscale Model. Simul., 2010

2007
Stabilized Integration of Hamiltonian Systems with Hard-Sphere Inequality Constraints.
SIAM J. Sci. Comput., 2007

2005
A Hamiltonian Formulation for Recursive Multiple Thermostats in a Common Timescale.
SIAM J. Appl. Dyn. Syst., 2005

A Projective Thermostatting Dynamics Technique.
Multiscale Model. Simul., 2005

2003
A parallel multiple time-scale reversible integrator for dynamics simulation.
Future Gener. Comput. Syst., 2003

2001
An Improved Dynamical Formulation for Constant Temperature and Pressure Dynamics, with Application to Particle Fluid Models.
Proceedings of the Computational Science - ICCS 2001, 2001

2000
A Time-Reversible, Regularized, Switching Integrator for the <i>N</i>-Body Problem.
SIAM J. Sci. Comput., 2000

1999
A Time-Reversible Variable-Stepsize Integrator for Constrained Dynamics.
SIAM J. Sci. Comput., 1999

Comparison of Geometric Integrators for Rigid Body Simulation.
Proceedings of the Computational Molecular Dynamics: Challenges, Methods, Ideas, 1999

1998
Time-transformations for reversible variable stepsize integration.
Numer. Algorithms, 1998

1997
The Adaptive Verlet Method.
SIAM J. Sci. Comput., 1997

1995
Algorithms for Constrained Molecular Dynamics.
J. Comput. Chem., 1995

1993
Estimating Waveform Relaxation Convergence.
SIAM J. Sci. Comput., 1993

1991
Waveform relaxation for linear RC-circuits.
IMPACT Comput. Sci. Eng., 1991

1988
Approximation Methods for the Consistent Initialization of Differential-Algebraic Equations
PhD thesis, 1988


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