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cs.LG2026
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…
cs.LG2026
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…
cs.LG2026
DPrivBench: Benchmarking LLMs' Reasoning for Differential Privacy
Erchi Wang, Pengrun Huang, Eli Chien +4
Differential privacy (DP) has a wide range of applications for protecting data privacy, but designing and verifying DP algorithms requires expert-level reasoning, creating a high b…