Enhanced Sampling

Enhanced sampling techniques aim to overcome the limitations of standard computational methods in exploring complex, high-dimensional systems by efficiently generating representative datasets. Current research focuses on improving sampling strategies through methods like uncertainty-based collective variables, deep generative models for unbiasing simulations, and refined sampling schemes within end-to-end frameworks (e.g., for object detection or video quality assessment). These advancements are crucial for improving the accuracy and efficiency of simulations in diverse fields, including molecular dynamics, machine learning, and image processing, leading to more robust models and better insights into complex systems.