24 papers
HoosierHelp: Benchmarking LLM Agents for Social Service Navigation
Yiyang Li, Weixiang Sun, Tianyi Ma +3
Social service navigation requires connecting help-seeking individuals to resources that satisfy their needs and specific constraints. Although LLM agents offer a promising interfa…
Object-Centric Environment Modeling for Agentic Tasks
Yiyang Li, Tianyi Ma, Zehong Wang +2
Large language model (LLM) agents can improve through accumulated experience, but free-form textual memories become difficult to maintain, validate, and reuse as interactions grow.…
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…
MDForge: Agentic Molecular Dynamics Pipeline Design under Sparse Simulator Feedback
Zehong Wang, Yijun Ma, Connor R. Schmidt +7
Molecular dynamics (MD) is the canonical in-silico method for atomistic molecular science, simulating molecular behavior from first-principle physics. Designing an MD pipeline for…
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…