7 citations · 17 across the 17 of their papers we have counts for
6 papers · 2 filters
MF-LAL: Drug Compound Generation Using Multi-Fidelity Latent Space Active Learning
Peter Eckmann, Dongxia Wu, Germano Heinzelmann +2
Current generative models for drug discovery primarily use molecular docking as an oracle to guide the generation of active compounds. However, such models are often not useful in…
Functional-level Uncertainty Quantification for Calibrated Fine-tuning on LLMs
Ruijia Niu, Dongxia Wu, Rose Yu +1
Accurate uncertainty quantification in large language models (LLMs) is essential for reliable confidence estimation, yet fine-tuned LLMs often become overconfident under limited ad…
Diffusion-BBO: Diffusion-Based Inverse Modeling for Online Black-Box Optimization
Dongxia Wu, Nikki Lijing Kuang, Ruijia Niu +2
Online black-box optimization (BBO) aims to optimize an objective function by iteratively querying a black-box oracle in a sample-efficient way. While prior studies focus on forwar…
Learning Granger Causality from Instance-wise Self-attentive Hawkes Processes
Dongxia Wu, Tsuyoshi Idé, Aurélie Lozano +5
We address the problem of learning Granger causality from asynchronous, interdependent, multi-type event sequences. In particular, we are interested in discovering instance-level c…
Multi-Fidelity Residual Neural Processes for Scalable Surrogate Modeling
Ruijia Niu, Dongxia Wu, Kai Kim +3
Multi-fidelity surrogate modeling aims to learn an accurate surrogate at the highest fidelity level by combining data from multiple sources. Traditional methods relying on Gaussian…
Diffusion Models as Constrained Samplers for Optimization with Unknown Constraints
Lingkai Kong, Yuanqi Du, Wenhao Mu +8
Addressing real-world optimization problems becomes particularly challenging when analytic objective functions or constraints are unavailable. While numerous studies have addressed…