Transition path sampling: throwing ropes over rough mountain passes, in the dark.

Finding transition pathways : throwing ropes over rough mountain passes , in the dark

Transition path sampling: throwing ropes over mountains in the dark

Understanding rare transitions occurring in complex systems, for instance chemical reactions in solution, poses the problem of finding and analysing the trajectories that move from one basin of attraction to another on a complicated potential energy surface. We have developed a systematic approach for finding these trajectories using computer simulations without preconceived knowledge of transi...

Fast mixing hyperdynamic sampling

Sequential random sampling (‘Markov Chain Monte-Carlo’) is a popular strategy for many vision problems involving multimodal distributions over high-dimensional parameter spaces. It applies both to importance sampling (where one wants to sample points according to their ‘importance’ for some calculation, but otherwise fairly) and to global optimization (where one wants to find good minima, or at...

Hyperdynamic Sampling1

Sequential random sampling (‘Markov Chain Monte-Carlo’) is a popular strategy for many vision problems involving multimodal distributions over high-dimensional parameter spaces. It applies both to importance sampling (where one wants to sample points according to their ‘importance’ for some calculation, but otherwise fairly) and to global optimization (where one wants to find good minima, or at...

Hyperdynamics Importance Sampling

Sequential random sampling (‘Markov Chain Monte-Carlo’) is a popular strategy for many vision problems involving multimodal distributions over high-dimensional parameter spaces. It applies both to importance sampling (where one wants to sample points according to their ‘importance’ for some calculation, but otherwise fairly) and to global optimization (where one wants to find good minima, or at...