4 papers
Position: AI Agents in Scientific Teams Should Be Studied as Human-Agent Systems
Patrick Emami, Sameera Horawalavithana, Truc Nguyen +11
Large language model-based agents are increasingly deployed as collaborators in scientific discovery yet most current work focuses on the autonomous capabilities of "AI Scientists"…
SCICONVBENCH: Benchmarking LLMs on Multi-Turn Clarification for Task Formulation in Computational Science
Nithin Somasekharan, Youssef Hassan, Shiyao Lin +5
Large Language Models (LLMs) are increasingly deployed as scientific AI as- sistants, and a growing body of benchmarks evaluates their capabilities across knowledge retrieval, reas…
AutoLabs: Cognitive Multi-Agent Systems with Self-Correction for Autonomous Chemical Experimentation
Gihan Panapitiya, Emily Saldanha, Heather Job +1
The automation of chemical research through self-driving laboratories (SDLs) promises to accelerate scientific discovery, yet the reliability and granular performance of the underl…
FragNet: A Graph Neural Network for Molecular Property Prediction with Four Levels of Interpretability
Gihan Panapitiya, Peiyuan Gao, C Mark Maupin +1
Molecular property prediction is essential in a variety of contemporary scientific fields, such as drug development and designing energy storage materials. Although there are many…