materials-design

Tag

Cards List
#materials-design

Graph-Native Reinforcement Learning Enables Traceable Scientific Hypothesis Generation through Conceptual Recombination

arXiv cs.AI · 2026-07-02 Cached

This paper introduces Graph-PRefLexOR, a family of graph-native reasoning models fine-tuned with group relative policy optimization (GRPO) to generate traceable scientific hypotheses through explicit reasoning phases. The method achieves 40-65% improvements over base models in reasoning traceability and demonstrates enhanced semantic diversity and conceptual recombination.

0 favorites 0 likes
#materials-design

DeepRHP: A Hybrid Variational Autoencoder for Designing Random Heteropolymers as Protein Mimics

arXiv cs.LG · 2026-06-11 Cached

DeepRHP is a hybrid variational autoencoder that guides the design of random heteropolymers as protein mimics, demonstrated by stabilizing membrane proteins like Aquaporin Z in non-native environments.

0 favorites 0 likes
#materials-design

Range-Aware Bayesian Optimization for Discovering Diverse Designs within Target Property Windows

arXiv cs.LG · 2026-06-11 Cached

This paper presents a range-aware Bayesian optimization framework that directly scores the posterior probability that a candidate satisfies a target property range, enabling discovery of diverse valid designs across multiple specifications.

0 favorites 0 likes
← Back to home

Submit Feedback