From the 1 of 8 linked papers with an AI index.
8 papers
Generating Developable 3D Molecules via Pocket-Conditioned Diffusion and Property-Aware Optimization
Ruoxi Gao, Jiangweizhi Peng, Ziqi Chen +10
The paper presents conDitar-dev, a conditional diffusion framework that generates drug-like molecules tailored to protein binding pockets while optimizing ADMET properties, and dem…
AgentDS Technical Report: Benchmarking the Future of Human-AI Collaboration in Domain-Specific Data Science
An Luo, Jin Du, Xun Xian +12
Data science plays a critical role in transforming complex data into actionable insights across numerous domains. Recent developments in large language models (LLMs) and artificial…
Safeguarding Text-to-Image Generation via Inference-Time Prompt-Noise Optimization
Jiangweizhi Peng, Zhiwei Tang, Gaowen Liu +2
Text-to-Image (T2I) diffusion models are widely recognized for their ability to generate high-quality and diverse images based on text prompts. However, despite recent advances, th…
Can Agentic AI Match the Performance of Human Data Scientists?
An Luo, Jin Du, Fangqiao Tian +9
Data science plays a critical role in transforming complex data into actionable insights across numerous domains. Recent developments in large language models (LLMs) have significa…
AssistedDS: Benchmarking How External Domain Knowledge Assists LLMs in Automated Data Science
An Luo, Xun Xian, Jin Du +12
Large language models (LLMs) have advanced the automation of data science workflows. Yet it remains unclear whether they can critically leverage external domain knowledge as human…
An Outlook on the Opportunities and Challenges of Multi-Agent AI Systems
Fangqiao Tian, An Luo, Jin Du +12
A multi-agent AI system (MAS) is composed of multiple autonomous agents that interact, exchange information, and make decisions based on internal generative models. Recent advances…