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cs.LG2025
Assay2Mol: large language model-based drug design using BioAssay context
Yifan Deng, Spencer S. Ericksen, Anthony Gitter
Scientific databases aggregate vast amounts of quantitative data alongside descriptive text. In biochemistry, molecule screening assays evaluate candidate molecules' functional res…
cs.LG2025
RouteNator: A Router-Based Multi-Modal Architecture for Generating Synthetic Training Data for Function Calling LLMs
Vibha Belavadi, Tushar Vatsa, Dewang Sultania +5
This paper addresses fine-tuning Large Language Models (LLMs) for function calling tasks when real user interaction data is unavailable. In digital content creation tools, where us…
cs.LG2024
SA-GNAS: Seed Architecture Expansion for Efficient Large-scale Graph Neural Architecture Search
Guanghui Zhu, Zipeng Ji, Jingyan Chen +3
GNAS (Graph Neural Architecture Search) has demonstrated great effectiveness in automatically designing the optimal graph neural architectures for multiple downstream tasks, such a…