10 papers
The Collaboration Tax: How Much LLM Multi-Agent Systems Pay to Coordinate
Weixiang Sun, Zehong Wang, Hong Huang +3
Multi-agent systems built from large language models are deployed widely, yet how much performance is lost when two LLMs must coordinate rather than act alone remains unclear. We f…
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…
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…
PreScam: A Benchmark for Predicting Scam Progression from Early Conversations
Weixiang Sun, Shang Ma, Yiyang Li +5
Conversational scams, such as romance and investment scams, are emerging as a major form of online fraud. Unlike one-shot scam lures such as fake lottery or unpaid toll messages, t…
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…
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…
Why Reasoning Fails to Plan: A Planning-Centric Analysis of Long-Horizon Decision Making in LLM Agents
Zehong Wang, Fang Wu, Hongru Wang +8
Large language model (LLM)-based agents exhibit strong step-by-step reasoning capabilities over short horizons, yet often fail to sustain coherent behavior over long planning horiz…
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…