3 papers
cs.LG2026
Auditable Algebraic Counting Field for Cryptic-Pocket Detection from Apo Structures
Shan Yu, Xuening Wu
Cryptic ligand-binding pockets are not apparent in experimentally determined apo structures, making them difficult to identify from unbound receptor geometry. A complementary chall…
cs.LG2026
Closed-Loop Knowledge Dynamics: An Operational Framework for Saturation and Escape
Xuening Wu, Shan Yu, Shenqin Yin
Feedback-driven loops support iterative improvement in large language models, reinforcement learning, and autonomous discovery, yet their gains often diminish under repeated intern…
cs.AI2026
BayesEvolve: Explicit Belief States for Autonomous Scientific Discovery
Xuening Wu, Shan Yu, Qianya Xu +1
Autonomous scientific discovery systems increasingly use large language models (LLMs) to propose new hypotheses, but many such systems condition primarily on experimental memory: a…