activity
20202025
most citedSimulated annealing for optimization of graphs and sequences

33 citations · 58 across the 6 of their papers we have counts for

collaborators

6 papers

cs.AI2025

Beyond Benchmarks: LLM Evaluation with an Anthropomorphic and Lifecycle-oriented Roadmap

Jun Wang, Ninglun Gu, Kailai Zhang +9

Despite their rapid advancement, large language models (LLMs) suffer from a critical disconnect between benchmark scores and real-world utility. Current evaluation remains fragment…

cs.LG2022

HCL: Improving Graph Representation with Hierarchical Contrastive Learning

Jun Wang, Weixun Li, Changyu Hou +6

Contrastive learning has emerged as a powerful tool for graph representation learning. However, most contrastive learning methods learn features of graphs with fixed coarse-grained…

cs.LG2022★ 1 cited

CandidateDrug4Cancer: An Open Molecular Graph Learning Benchmark on Drug Discovery for Cancer

Xianbin Ye, Ziliang Li, Fei Ma +6

Anti-cancer drug discoveries have been serendipitous, we sought to present the Open Molecular Graph Learning Benchmark, named CandidateDrug4Cancer, a challenging and realistic benc…

cs.LG2021

Pairwise Half-graph Discrimination: A Simple Graph-level Self-supervised Strategy for Pre-training Graph Neural Networks

Pengyong Li, Jun Wang, Ziliang Li +6

Self-supervised learning has gradually emerged as a powerful technique for graph representation learning. However, transferable, generalizable, and robust representation learning o…

cs.LG2021★ 33 cited

Simulated annealing for optimization of graphs and sequences

Xianggen Liu, Pengyong Li, Fandong Meng +5

Optimization of discrete structures aims at generating a new structure with the better property given an existing one, which is a fundamental problem in machine learning. Different…

cs.LG2020★ 24 cited

Learn molecular representations from large-scale unlabeled molecules for drug discovery

Pengyong Li, Jun Wang, Yixuan Qiao +6

How to produce expressive molecular representations is a fundamental challenge in AI-driven drug discovery. Graph neural network (GNN) has emerged as a powerful technique for model…