4 papers
SimulCost: A Cost-Aware Benchmark and Toolkit for Automating Physics Simulations with LLMs
Yadi Cao, Sicheng Lai, Jiahe Huang +12
Evaluating LLM agents for scientific tasks has focused on token costs while ignoring tool-use costs like simulation time and experimental resources. As a result, metrics like pass@…
From Knowledge to Action: Outcomes of the 2025 Large Language Model (LLM) Hackathon for Applications in Materials Science and Chemistry
Aritra Roy, Kevin Shen, Andrew MacBride +350
Large language models (LLMs) are rapidly changing how researchers in materials science and chemistry discover, organize, and act on scientific knowledge. This paper analyzes a broa…
Programmatic Context Augmentation for LLM-based Symbolic Regression
Hao Liu, Xiao-Wen Yang, Atharva Sehgal +4
Symbolic regression (SR), the task of discovering mathematical expressions that best describe a given dataset, remains a fundamental challenge in scientific discovery. Traditional…
Beyond Numeric Rewards: In-Context Dueling Bandits with LLM Agents
Fanzeng Xia, Hao Liu, Yisong Yue +1
In-Context Reinforcement Learning (ICRL) is a frontier paradigm to solve Reinforcement Learning (RL) problems in the foundation model era. While ICRL capabilities have been demonst…