2 citations · 3 across the 13 of their papers we have counts for
7 papers · 1 filter
Equivariant Neural Primal-Dual Assignment for Maximum Common Edge Subgraphs
Jiaqing Xie, Yanchao Li, Zhuo Yang +3
Maximum common edge subgraph (MCES) matching finds a partial vertex correspondence between two labeled graphs that preserves as many labeled edges as possible. Molecular similarity…
Hierarchical Data Selection via Manifold Coverage and Sparse Feature Coverage in LLM Post-training
Peng Sun, Yi Yang, Antong Zhang +7
As supervised fine-tuning data continues to scale, selecting high-value subsets from large candidate pools is crucial for reducing training cost and improving model performance. Ex…
Data-DPO: Direct Preference Optimization for Target Model Data Selection in LLM Post-Training
Peng Sun, Yi Yang, Antong Zhang +7
Data selection in supervised fine-tuning aims to select a small set of effective samples from large-scale candidate data, reducing training cost while preserving model performance.…
Disagree to Accelerate: Closing the Loop on Diffusion Feature Forecasts
Yanchao Li, Jiaqing Xie, Ben Gao +6
Training-free feature forecasting accelerates diffusion sampling by predicting features at skipped denoising steps. Recent work has mainly focused on designing stronger forecasters…
ABOPD: Antibody CDR Design via On-Policy Distillation
Zhuo Yang, Jiaying He, Jiaqing Xie +5
Antibodies are essential therapeutic molecules, and their complementarity-determining regions (CDRs) form the primary antigen-recognition interface. Recent protein generative model…
ResearchClawBench: A Benchmark for End-to-End Autonomous Scientific Research
Wanghan Xu, Shuo Li, Tianlin Ye +48
AI coding agents are increasingly used for scientific work, but their end-to-end autonomous research capability remains difficult to verify. We present ResearchClawBench, a benchma…
SpecMol: A Spectroscopy-Grounded Foundation Model for Multi-Task Molecular Learning
Shuaike Shen, Jiaqing Xie, Zhuo Yang +6
Large language models have emerged as transformative tools in molecular science, demonstrating remarkable potential in molecular property prediction and de novo molecular design. H…