4 papers
DBRAG: Multi-Table Retrieval-Augmented Generation for Complex Database Queries
Prince Larbi Ampofo, Ryoji Kubo, Djellel Difallah
Recent advancements in large language models have introduced new capabilities for reasoning over structured data, particularly through program-aided tools that can analyze tables.…
Composable Crystals: Controllable Materials Discovery via Concept Learning
Nian Liu, Yuwei Zeng, Ryoji Kubo +7
De novo crystal generation, a central task in materials discovery, aims to generate crystals that are simultaneously valid, stable, unique, and novel. Existing methods mainly rely…
Crys-JEPA: Accelerating Crystal Discovery via Embedding Screening and Generative Refinement
Nian Liu, Nikita Kazeev, Stephen Gregory Dale +8
De novo crystal generation seeks to discover materials that are not merely realistic, but also stable and novel. However, most existing generative models are trained to maximize th…
RAW-Explainer: Post-hoc Explanations of Path Reasoning Graph Neural Networks for Knowledge Graph Completion
Ryoji Kubo, Djellel Difallah, Samyam Lamichhane
Path reasoning graph neural networks have demonstrated state-of-the-art performance on knowledge graph completion tasks such as link prediction. However, interpreting their predict…