5 citations · 10 across the 22 of their papers we have counts for
10 papers · 1 filter
SupraBench: A Benchmark for Supramolecular Chemistry
Tianyi Ma, Yijun Ma, Zehong Wang +6
Supramolecular chemistry, which includes the study of non-covalent host-guest assemblies, has advanced various applications. However, designing host-guest systems remains time-cons…
Why Semantic Entropy Fails: Geometry-Aware and Calibrated Uncertainty for Policy Optimization
Zheyuan Zhang, Kaiwen Shi, Han Bao +3
Post-training has become central to improving reasoning and alignment in large language models, where critic-free models enable scalable learning from model-generated outputs but l…
Hypergraph Pattern Machine: Compositional Tokenization for Higher-Order Interactions
Kyrie Zhao, Zehong Wang, Tianyi Ma +5
Hypergraphs model higher-order relations that drive real-world decisions, from drug prescriptions to recommendations. A central structural signal in such data, beyond what pairwise…
On the Safety of Graph Representation Learning
Xiaoguang Guo, Zehong Wang, Ziming Li +5
Graph representation learning (GRL) has evolved from topology-only graph embeddings to task-specific supervised GNNs, and more recently to reusable representations and graph founda…
Molecular Representations in Implicit Functional Space via Hyper-Networks
Zehong Wang, Xiaolong Han, Qi Yang +10
Molecular representations fundamentally shape how machine learning systems reason about molecular structure and physical properties. Most existing approaches adopt a discrete pipel…
Graph Foundation Models: A Comprehensive Survey
Zehong Wang, Zheyuan Liu, Tianyi Ma +16
Graph-structured data pervades domains such as social networks, biological systems, knowledge graphs, and recommender systems. While foundation models have transformed natural lang…
Generative Graph Pattern Machine
Zehong Wang, Zheyuan Zhang, Tianyi Ma +2
Graph neural networks (GNNs) have been predominantly driven by message-passing, where node representations are iteratively updated via local neighborhood aggregation. Despite their…
LLM-Empowered Class Imbalanced Graph Prompt Learning for Online Drug Trafficking Detection
Tianyi Ma, Yiyue Qian, Zehong Wang +3
As the market for illicit drugs remains extremely profitable, major online platforms have become direct-to-consumer intermediaries for illicit drug trafficking participants. These…
Beyond Message Passing: Neural Graph Pattern Machine
Zehong Wang, Zheyuan Zhang, Tianyi Ma +3
Graph learning tasks often hinge on identifying key substructure patterns -- such as triadic closures in social networks or benzene rings in molecular graphs -- that underpin downs…
Towards Graph Foundation Models: Learning Generalities Across Graphs via Task-Trees
Zehong Wang, Zheyuan Zhang, Tianyi Ma +3
Foundation models are pretrained on large-scale corpora to learn generalizable patterns across domains and tasks -- such as contours, textures, and edges in images, or tokens and s…