9 papers
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.…
Policy4OOD: A Knowledge-Guided World Model for Policy Intervention Simulation against the Opioid Overdose Crisis
Yijun Ma, Zehong Wang, Weixiang Sun +4
The opioid epidemic remains one of the most severe public health crises in the United States, yet evaluating policy interventions before implementation is difficult: multiple polic…
Temporal Graph Pattern Machine
Yijun Ma, Zehong Wang, Weixiang Sun +1
Temporal graph learning is pivotal for deciphering dynamic systems, where the core challenge lies in explicitly modeling the underlying evolving patterns that govern network transf…
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…
ProPlay: Procedural World Models for Self-Evolving LLM Agents
Yijun Ma, Zehong Wang, Yiyang Li +5
Self-evolving agents are expected to improve through interaction without external supervision, but this remains difficult in partially observable environments where agents must exp…