4 papers · 1 filter
Oracle-Budgeted Molecular Optimization with Short-Term Graph Memory
Jiannan Yang, Veronika Thost, Xiang Ling +1
Molecular optimization is commonly performed under a limited oracle budget, which makes deciding what to evaluate as important as deciding what to generate. We introduce short-term…
Efficient Imputation for Patch-based Missing Single-cell Data via Cluster-regularized Optimal Transport
Yuyu Liu, Jiannan Yang, Ziyang Yu +3
Missing data in single-cell sequencing datasets poses significant challenges for extracting meaningful biological insights. However, existing imputation approaches, which often ass…
Self-Supervised Learning on Molecular Graphs: A Systematic Investigation of Masking Design
Jiannan Yang, Veronika Thost, Tengfei Ma
Self-supervised learning (SSL) plays a central role in molecular representation learning. Yet, many recent innovations in masking-based pretraining are introduced as heuristics and…
Resting Neurons, Active Insights: Robustifying Activation Sparsity in LLMs via Spontaneity
Haotian Xu, Jiannan Yang, Tian Gao +2
Activation sparsity offers a compelling route to accelerate large language model (LLM) inference by selectively suppressing hidden activations, yet existing approaches exhibit seve…