24 papers
Trustworthy Protein-Ligand Binding Affinity Prediction via Reliability-Aware Multi-Engine Fusion
Yongchan Hong, Defu Cao, Wenjin Liu +6
Accurate protein-ligand binding affinity prediction is central to computational drug discovery, yet modern docking engines frequently disagree without indicating which prediction t…
An Exam for Active Observers
Jiarui Zhang, Muzi Tao, Shangshang Wang +3
Human vision is a closed loop: gaze is continuously redirected by intermediate hypotheses rather than a single snapshot. Decades of psychophysics and cognitive science have argued…
Rethinking RL for LLM Reasoning: It's Sparse Policy Selection, Not Capability Learning
Ãmer Faruk Akgül, Rajgopal Kannan, Willie Neiswanger +1
Reinforcement learning has become the standard for improving reasoning in large language models, yet evidence increasingly suggests that RL does not teach new strategies; it redist…
Auditing Black-Box LLM APIs with a Rank-Based Uniformity Test
Xiaoyuan Zhu, Yaowen Ye, Tianyi Qiu +6
As API access becomes a primary interface to large language models (LLMs), users often interact with black-box systems that offer little transparency into the deployed model. To re…
Neural Nonmyopic Bayesian Optimization in Dynamic Cost Settings
Sang T. Truong, Duc Q. Nguyen, Willie Neiswanger +4
Bayesian optimization (BO) is a common framework for optimizing black-box functions, yet most existing methods assume static query costs and rely on myopic acquisition strategies.…
LYNX: Learning Dynamic Exits for Confidence-Controlled Reasoning
Ãmer Faruk Akgül, Yusuf Hakan Kalaycı, Rajgopal Kannan +2
Large reasoning models achieve strong performance on complex tasks by generating extended chains of thought, but they often "overthink": continuing to reason long after they have e…