arXiv:2608. 13800v1 Announce Type: new Abstract: Transition path sampling (TPS) aims to efficiently generate rare molecular transition trajectories between metastable states and is essential for understanding biomolecular mechanisms.
By Jingqian Liu, Yu-Hsiang Wang, Yanru Qu, Ge Liu
arXiv:2606. 24990v1 Announce Type: new Abstract: Reinforcement Learning (RL) has become a powerful paradigm for de novo molecular design, enabling Chemical Language Models (CLMs) to navigate and explore the chemical space while optimizing specific desired properties.
By Borja Medina, Jon Paul Janet
arXiv:2604. 13213v2 Announce Type: replace-cross Abstract: Rare events such as conformational changes in biomolecules, phase transitions, and chemical reactions are central to the behavior of many physical systems, yet they are extremely difficult to study computationally because unbiased simulations seldom produce them.
By Yuanqi Du, Jiajun He, Dinghuai Zhang, Eric Vanden-Eijnden, Carles Domingo-Enrich
arXiv:2608. 12388v1 Announce Type: cross Abstract: The emergence of orientation selectivity in the primary visual cortex (V1) remains a central question in computational neuroscience.
By Abolfazl Moslemi, Milad Sarabadani, Fatemeh Sefidian, Hossein Peyvandi
arXiv:2607. 03671v1 Announce Type: cross Abstract: Models of complex systems often have many parameters, yet are constrained by far fewer experimentally accessible observables: similar activity can emerge from coordinated parameter changes.
By Ruilin Zhang, Louis Tao, Zhuo-Cheng Xiao
arXiv:2601. 20985v2 Announce Type: replace Abstract: Optimal control of complex environments with robotic systems faces two complementary and intertwined challenges: efficient organization of sensory state information and far-sighted action planning.
By Abdullah Akg\"ul, Gulcin Baykal, Manuel Hau{\ss}mann, Mustafa Mert \c{C}elikok, Melih Kandemir