Benedict J. Leimkuhler

51 papers A* 2A 1Misc 1Journal 43Unranked 1

Year	Rank	Type	Title / Venue / Authors
2026	J	`jnl`	Adaptive Momentum and Nonlinear Damping for Neural Network Training. CoRR Aikaterini Karoni, Rajit Rajpal, Benedict J. Leimkuhler, Gabriel Stoltz
2025	J	`jnl`	A Langevin sampling algorithm inspired by the Adam optimizer. CoRR Benedict J. Leimkuhler, René Lohmann, Peter A. Whalley
2025	J	`jnl`	Adaptive Stepsizing for Stochastic Gradient Langevin Dynamics in Bayesian Neural Networks. CoRR Rajit Rajpal, Benedict J. Leimkuhler, Yuanhao Jiang
2025	J	`jnl`	Cluster Formation in Diffusive Systems. CoRR Benedict J. Leimkuhler, René Lohmann, Grigorios A. Pavliotis, Peter A. Whalley
2025	J	`jnl`	Efficient Langevin sampling with position-dependent diffusion. CoRR Eugen Bronasco, Benedict J. Leimkuhler, Dominic Phillips, Gilles Vilmart
2025	J	`jnl`	How deep is your network? Deep vs. shallow learning of transfer operators. CoRR Mohammad Tabish, Benedict J. Leimkuhler, Stefan Klus
2025	A	`conf`	Sampling from Bayesian Neural Network Posteriors with Symmetric Minibatch Splitting Langevin Dynamics. AISTATS Daniel Paulin, Peter A. Whalley, Neil K. Chada, Benedict J. Leimkuhler
2024	J	`jnl`	Adaptive Stepsize Algorithms for Langevin Dynamics. SIAM J. Sci. Comput. Alix Leroy, Benedict J. Leimkuhler, Jonas Latz, Desmond J. Higham
2024	J	`jnl`	Adaptive stepsize algorithms for Langevin dynamics. CoRR Alix Leroy, Benedict J. Leimkuhler, Jonas Latz, Desmond J. Higham
2024	J	`jnl`	Contraction and Convergence Rates for Discretized Kinetic Langevin Dynamics. SIAM J. Numer. Anal. Benedict J. Leimkuhler, Daniel Paulin, Peter A. Whalley
2024	J	`jnl`	Randomized time Riemannian Manifold Hamiltonian Monte Carlo. Stat. Comput. Peter A. Whalley, Daniel Paulin, Benedict J. Leimkuhler
2024	J	`jnl`	Sampling from Bayesian Neural Network Posteriors with Symmetric Minibatch Splitting Langevin Dynamics. CoRR Daniel Paulin, Peter A. Whalley, Neil K. Chada, Benedict J. Leimkuhler
2023	J	`jnl`	Contraction Rate Estimates of Stochastic Gradient Kinetic Langevin Integrators. CoRR Benedict J. Leimkuhler, Daniel Paulin, Peter A. Whalley
2023	J	`jnl`	Contraction and Convergence Rates for Discretized Kinetic Langevin Dynamics. CoRR Benedict J. Leimkuhler, Daniel Paulin, Peter A. Whalley
2023	J	`jnl`	Numerical Methods with Coordinate Transforms for Efficient Brownian Dynamics Simulations. CoRR Dominic Phillips, Charles Matthews, Benedict J. Leimkuhler
2023	J	`jnl`	Unbiased Kinetic Langevin Monte Carlo with Inexact Gradients. CoRR Neil K. Chada, Benedict J. Leimkuhler, Daniel Paulin, Peter A. Whalley
2022	J	`jnl`	Efficient Numerical Algorithms for the Generalized Langevin Equation. SIAM J. Sci. Comput. Benedict J. Leimkuhler, Matthias Sachs
2022	A*	`conf`	Multirate Training of Neural Networks. ICML Tiffany J. Vlaar, Benedict J. Leimkuhler
2021	A*	`conf`	Better Training using Weight-Constrained Stochastic Dynamics. ICML Benedict J. Leimkuhler, Tiffany J. Vlaar, Timothée Pouchon, Amos J. Storkey
2021	J	`jnl`	Better Training using Weight-Constrained Stochastic Dynamics. CoRR Benedict J. Leimkuhler, Tiffany Vlaar, Timothée Pouchon, Amos J. Storkey
2021	J	`jnl`	Multirate Training of Neural Networks. CoRR Tiffany Vlaar, Benedict J. Leimkuhler
2020	J	`jnl`	Constraint-Based Regularization of Neural Networks. CoRR Benedict J. Leimkuhler, Timothée Pouchon, Tiffany Vlaar, Amos J. Storkey
2020	J	`jnl`	Efficient Numerical Algorithms for the Generalized Langevin Equation. CoRR Benedict J. Leimkuhler, Matthias Sachs
2020	J	`jnl`	Hypocoercivity Properties of Adaptive Langevin Dynamics. SIAM J. Appl. Math. Benedict J. Leimkuhler, Matthias Sachs, Gabriel Stoltz
2020	J	`jnl`	Simplest random walk for approximating Robin boundary value problems and ergodic limits of reflected diffusions. CoRR Benedict J. Leimkuhler, Akash Sharma, Michael V. Tretyakov
2019	J	`jnl`	Hypocoercivity properties of adaptive Langevin dynamics. CoRR Benedict J. Leimkuhler, Matthias Sachs, Gabriel Stoltz
2019	J	`jnl`	MIST: A simple and efficient molecular dynamics abstraction library for integrator development. Comput. Phys. Commun. Iain Bethune, Ralf Banisch, Elena Breitmoser, Antonia B. K. Collis, Gordon Gibb, Gianpaolo Gobbo, Charles Matthews, Graeme J. Ackland, Benedict J. Leimkuhler
2019	J	`jnl`	Partitioned integrators for thermodynamic parameterization of neural networks. CoRR Benedict J. Leimkuhler, Charles Matthews, Tiffany Vlaar
2019	J	`jnl`	TATi-Thermodynamic Analytics ToolkIt: TensorFlow-based software for posterior sampling in machine learning applications. CoRR Frederik Heber, Zofia Trstanova, Benedict J. Leimkuhler
2019	J	`jnl`	Transferability of Operational Status Classification Models Among Different Wind Turbine Types. CoRR Zofia Trstanova, Anton Martinsson, Charles Matthews, Sergio Jimenez, Benedict J. Leimkuhler, T. Van Delft, Michael Wilkinson
2018	J	`jnl`	Ensemble preconditioning for Markov chain Monte Carlo simulation. Stat. Comput. Benedict J. Leimkuhler, Charles Matthews, Jonathan Weare
2018	J	`jnl`	Quantifying Configuration-Sampling Error in Langevin Simulations of Complex Molecular Systems. Entropy Josh Fass, David A. Sivak, Gavin E. Crooks, Kyle Beauchamp, Benedict J. Leimkuhler, John D. Chodera
2017	J	`jnl`	Langevin Dynamics with Variable Coefficients and Nonconservative Forces: From Stationary States to Numerical Methods. Entropy Matthias Sachs, Benedict J. Leimkuhler, Vincent Danos
2016	J	`jnl`	Adaptive Thermostats for Noisy Gradient Systems. SIAM J. Sci. Comput. Benedict J. Leimkuhler, Xiaocheng Shang
2016	J	`jnl`	Pairwise adaptive thermostats for improved accuracy and stability in dissipative particle dynamics. J. Comput. Phys. Benedict J. Leimkuhler, Xiaocheng Shang
2015	—	`conf`	Covariance-Controlled Adaptive Langevin Thermostat for Large-Scale Bayesian Sampling. NIPS Xiaocheng Shang, Zhanxing Zhu, Benedict J. Leimkuhler, Amos J. Storkey
2015	J	`jnl`	Covariance-Controlled Adaptive Langevin Thermostat for Large-Scale Bayesian Sampling. CoRR Xiaocheng Shang, Zhanxing Zhu, Benedict J. Leimkuhler, Amos J. Storkey
2015	J	`jnl`	On the numerical treatment of dissipative particle dynamics and related systems. J. Comput. Phys. Benedict J. Leimkuhler, Xiaocheng Shang
2011	J	`jnl`	Dimensional Reductions for the Computation of Time-Dependent Quantum Expectations. SIAM J. Sci. Comput. Giacomo Mazzi, Benedict J. Leimkuhler
2007	J	`jnl`	Stabilized Integration of Hamiltonian Systems with Hard-Sphere Inequality Constraints. SIAM J. Sci. Comput. Stephen D. Bond, Benedict J. Leimkuhler
2005	J	`jnl`	A Hamiltonian Formulation for Recursive Multiple Thermostats in a Common Timescale. SIAM J. Appl. Dyn. Syst. Benedict J. Leimkuhler, Christopher R. Sweet
2005	J	`jnl`	A Projective Thermostatting Dynamics Technique. Multiscale Model. Simul. Zhidong Jia, Benedict J. Leimkuhler
2003	J	`jnl`	A parallel multiple time-scale reversible integrator for dynamics simulation. Future Gener. Comput. Syst. Zhidong Jia, Benedict J. Leimkuhler
2001	Misc	`conf`	An Improved Dynamical Formulation for Constant Temperature and Pressure Dynamics, with Application to Particle Fluid Models. International Conference on Computational Science (2) Benedict J. Leimkuhler
1999	J	`jnl`	A Time-Reversible Variable-Stepsize Integrator for Constrained Dynamics. SIAM J. Sci. Comput. Eric Barth, Benedict J. Leimkuhler, Sebastian Reich
1999	—	`ch.`	Comparison of Geometric Integrators for Rigid Body Simulation. Computational Molecular Dynamics Benedict J. Leimkuhler
1999	—	`book`	Computational Molecular Dynamics: Challenges, Methods, Ideas Computational Molecular Dynamics Peter Deuflhard, Jan Hermans, Benedict J. Leimkuhler, Alan E. Mark, Sebastian Reich, Robert D. Skeel
1998	J	`jnl`	Time-transformations for reversible variable stepsize integration. Numer. Algorithms Stephen D. Bond, Benedict J. Leimkuhler
1997	J	`jnl`	The Adaptive Verlet Method. SIAM J. Sci. Comput. Weizhang Huang, Benedict J. Leimkuhler
1995	J	`jnl`	Algorithms for Constrained Molecular Dynamics. J. Comput. Chem. Eric Barth, Krzysztof Kuczera, Benedict J. Leimkuhler, Robert D. Skeel
1988	—	`—`	Approximation Methods for the Consistent Initialization of Differential-Algebraic Equations Benedict J. Leimkuhler