activity
20232026
most citedMUBen: Benchmarking the Uncertainty of Molecular Representation Models

3 citations · 3 across the 7 of their papers we have counts for

collaborators

7 papers

cs.LG2026

Benchmarking Counterfactual Prediction in Epidemic Time Series with Time-Varying Interventions

Wenhao Mu, Facundo Yan, Anik Mumssen +2

Deep learning has enabled significant advances in time-series causal inference, yet progress remains constrained by the lack of realistic benchmarks with observable counterfactual…

cs.LG2025

Counterfactual Probabilistic Diffusion with Expert Models

Wenhao Mu, Zhi Cao, Mehmed Uludag +1

Predicting counterfactual distributions in complex dynamical systems is essential for scientific modeling and decision-making in domains such as public health and medicine. However…

cs.LG2025

Two Birds with One Stone: Enhancing Uncertainty Quantification and Interpretability with Graph Functional Neural Process

Lingkai Kong, Haotian Sun, Yuchen Zhuang +3

Graph neural networks (GNNs) are powerful tools on graph data. However, their predictions are mis-calibrated and lack interpretability, limiting their adoption in critical applicat…

cs.AI2024

Aligning Large Language Models with Representation Editing: A Control Perspective

Lingkai Kong, Haorui Wang, Wenhao Mu +7

Aligning large language models (LLMs) with human objectives is crucial for real-world applications. However, fine-tuning LLMs for alignment often suffers from unstable training and…

cs.LG2024

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…

cs.LG2023

DF2: Distribution-Free Decision-Focused Learning

Lingkai Kong, Wenhao Mu, Jiaming Cui +4

Decision-focused learning (DFL), which differentiates through the KKT conditions, has recently emerged as a powerful approach for predict-then-optimize problems. However, under pro…

physics.chem-ph2023★ 3 cited

MUBen: Benchmarking the Uncertainty of Molecular Representation Models

Yinghao Li, Lingkai Kong, Yuanqi Du +4

Large molecular representation models pre-trained on massive unlabeled data have shown great success in predicting molecular properties. However, these models may tend to overfit t…